Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B40BDA
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| Binder Name |
2-[(4R)-4-[(2S,18R)-6-[(3-{[(2S)-2-(6-Methoxynaphthalen-2-yl)propanoyl]oxy}phenyl)methyl]-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-yl]pentanamido]acetic acid
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| Synonyms |
CHEMBL182965; BDBM50157073
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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 |
C48H59N3O6
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| Canonical SMILES |
C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC5=CN(N=C5C4)CC6=CC(=CC=C6)OC(=O)[C@@H](C)C7=CC8=C(C=C7)C=C(C=C8)OC)C)C
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| InChI |
1S/C48H59N3O6/c1-29(9-18-44(52)49-26-45(53)54)40-16-17-41-39-15-13-36-24-43-35(25-48(36,4)42(39)19-20-47(40,41)3)28-51(50-43)27-31-7-6-8-38(21-31)57-46(55)30(2)32-10-11-34-23-37(56-5)14-12-33(34)22-32/h6-8,10-12,14,21-23,28-30,36,39-42H,9,13,15-20,24-27H2,1-5H3,(H,49,52)(H,53,54)/t29-,30+,36?,39?,40?,41?,42?,47-,48+/m1/s1
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| InChIKey |
CBBNFKIUOKXJCZ-JYZLIAPTSA-N
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| PubChem Compound ID | ||||
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