Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BF7Y2T
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| Binder Name |
Valrubicin
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| Synonyms |
Valstar; AD-32; Antibiotic AD 32; NSC-246131; UNII-2C6NUM6878; N-Trifluoroacetyladriamycin-14-valerate; Valstar Preservative Free; AD 32; 2C6NUM6878; Valtaxin; Trifluoroacetyladriamycin-14-valerate; NSC 246131; Valrubicin [USAN:USP:INN]; NSC246131; HSDB 7288; C34H36F3NO13; NCGC00164738-01; Valrubicin (AD-32); DSSTox_CID_26497; DSSTox_RID_81666; DSSTox_GSID_46497; SCHEMBL12824; CHEMBL1096885; DTXSID9046497; AOB2165; EX-A493; Tox21_112257; BDBM50248236; MFCD01939322; ZINC49783788; DB00385; NCGC00390545-01; BS-17624; HY-13772; S9522; D02697; Z-3187; 124V620; Q-101408; Q7912593
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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 |
C34H36F3NO13
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| Canonical SMILES |
CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O
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| InChI |
1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
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| InChIKey |
ZOCKGBMQLCSHFP-KQRAQHLDSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:135876
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