Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5I7GS
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| Binder Name |
3-[(2S,5S,11R,14S)-14-[3-(Diaminomethylideneamino)propyl]-11-[(4-hydroxyphenyl)methyl]-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylurea;2,2,2-trifluoroacetic acid
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| Synonyms |
CHEMBL2179711
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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 |
C38H47F3N10O9
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| Canonical SMILES |
C1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC3=CC=CC=C3C=C2)CCCNC(=O)N)CCCN=C(N)N)CC4=CC=C(C=C4)O.C(=O)(C(F)(F)F)O
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| InChI |
1S/C36H46N10O7.C2HF3O2/c37-35(38)40-15-3-7-26-32(50)44-27(8-4-16-41-36(39)53)33(51)46-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)42-20-30(48)43-29(34(52)45-26)18-21-10-13-25(47)14-11-21;3-2(4,5)1(6)7/h1-2,5-6,9-14,17,26-29,47H,3-4,7-8,15-16,18-20H2,(H,42,49)(H,43,48)(H,44,50)(H,45,52)(H,46,51)(H4,37,38,40)(H3,39,41,53);(H,6,7)/t26-,27-,28-,29+;/m0./s1
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| InChIKey |
SSBVMWAAISHVLP-UVHONZKJSA-N
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| PubChem Compound ID | ||||
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