General Information of the Compound
| Compound ID |
CP0433470
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| Compound Name |
2-amino-N-[(1R)-1-[4-(2,2-diphenylethyl)-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C40H41N7O
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| Molecular Weight |
635.816
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C40H41N7O/c1-40(2,41)39(48)44-36(23-30-25-43-35-20-12-10-18-32(30)35)38-46-45-37(22-21-29-24-42-34-19-11-9-17-31(29)34)47(38)26-33(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-20,24-25,33,36,42-43H,21-23,26,41H2,1-2H3,(H,44,48)/t36-/m1/s1
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| InChIKey |
OGHUYUKIMSORCD-PSXMRANNSA-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