Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BGR58N
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| Binder Name |
Dihydroergocristine
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| Synonyms |
9,10-Dihydroergocristine; UNII-05D48LUM4Z; GNF-Pf-3462; Ergocristine, dihydro-; Dihydroergocristin; 05D48LUM4Z; CHEMBL601773; NCGC00017401-02; DSSTox_CID_26322; DSSTox_RID_81538; DSSTox_GSID_46322; Ergocristine, 9,10-dihydro-; CCRIS 4027; EINECS 241-493-4; SR-01000075381; NCGC00163163-01; Prestwick0_000562; Prestwick1_000562; Prestwick2_000562; Prestwick3_000562; Dihydroergocristine (BAN); Lopac0_000409; BSPBio_000344; SCHEMBL146691; SPBio_002563; BPBio1_000380; DTXSID3046322; HMS2090H10; ZINC3995616; Tox21_112021; Tox21_113115; BDBM50390992; 5'-Benzyl-9,10-dihydro-12'-hydroxy-2'-isopropyl-3',6',18-ergotamantrion; CCG-204502; DB13345; 9,10-Dihydro-12'-hydroxy-2'-isopropyl-5'alpha-benzylergotaman-3',6',18-trion; NCGC00017401-06; NCGC00017401-07; NCGC00017401-08; NCGC00017401-09; NCGC00017401-10; NCGC00023148-04; NCGC00023148-05; NCGC00023148-06; D07834; Q5276428; SR-01000075381-5; BRD-K97440753-066-03-3; UNII-34HPE9Z8IP component DEQITUUQPICUMR-HJPBWRTMSA-N
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C35H41N5O5
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| Canonical SMILES |
CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
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| InChI |
1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1
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| InChIKey |
DEQITUUQPICUMR-HJPBWRTMSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:59912
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