General Information of the Compound
| Compound ID |
CP0428144
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| Compound Name |
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-nitrophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C31H33N7O3
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| Molecular Weight |
551.651
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C31H33N7O3/c1-31(2,32)30(39)34-27(18-23-19-33-26-11-7-6-10-25(23)26)29-36-35-28(17-14-21-8-4-3-5-9-21)37(29)20-22-12-15-24(16-13-22)38(40)41/h3-13,15-16,19,27,33H,14,17-18,20,32H2,1-2H3,(H,34,39)/t27-/m1/s1
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| InChIKey |
JQZFAWBWTJIYCS-HHHXNRCGSA-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