General Information of the Compound
| Compound ID |
CP0420540
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| Compound Name |
2-amino-N-[(1R)-1-[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C29H28Cl2N6O
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| Molecular Weight |
547.49
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H28Cl2N6O/c1-29(2,32)28(38)34-25(15-19-17-33-24-11-7-6-10-21(19)24)27-36-35-26(14-18-8-4-3-5-9-18)37(27)20-12-13-22(30)23(31)16-20/h3-13,16-17,25,33H,14-15,32H2,1-2H3,(H,34,38)/t25-/m1/s1
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| InChIKey |
YALBXFIFOCHJSI-RUZDIDTESA-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