General Information of the Compound
| Compound ID |
CP0520250
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| Compound Name |
2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-1-benzyl-5-methyl-1H-imidazole-4-carboxylic acid
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| Structure |
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| Formula |
C35H44N6O4
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| Molecular Weight |
612.775
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(C)n1Cc1ccccc1
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| InChI |
InChI=1S/C35H44N6O4/c1-23(2)19-30(38-35(45)40-17-11-4-5-12-18-40)33(42)37-29(20-26-21-36-28-16-10-9-15-27(26)28)32-39-31(34(43)44)24(3)41(32)22-25-13-7-6-8-14-25/h6-10,13-16,21,23,29-30,36H,4-5,11-12,17-20,22H2,1-3H3,(H,37,42)(H,38,45)(H,43,44)/t29-,30+/m1/s1
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| InChIKey |
PQGJAIKXECZWQR-IHLOFXLRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound