General Information of the Compound
| Compound ID |
CP0464305
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| Compound Name |
(S)-N-(1-(4-(4-methoxybenzyl)-5-benzyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C31H34N6O2
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| Molecular Weight |
522.653
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| Canonical SMILES |
COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C31H34N6O2/c1-31(2,32)30(38)34-27(18-23-19-33-26-12-8-7-11-25(23)26)29-36-35-28(17-21-9-5-4-6-10-21)37(29)20-22-13-15-24(39-3)16-14-22/h4-16,19,27,33H,17-18,20,32H2,1-3H3,(H,34,38)/t27-/m0/s1
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| InChIKey |
DCAIAEDSMBLLML-MHZLTWQESA-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