General Information of the Compound
| Compound ID |
CP0501238
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| Compound Name |
(R)-N-(1-(4-(4-methoxybenzyl)-5-benzyl-4H-1,2,4-triazol-3-yl)-2-phenylethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
COc1ccc(Cn2c(Cc3ccccc3)nnc2[C@@H](Cc2ccccc2)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C29H33N5O2/c1-29(2,30)28(35)31-25(18-21-10-6-4-7-11-21)27-33-32-26(19-22-12-8-5-9-13-22)34(27)20-23-14-16-24(36-3)17-15-23/h4-17,25H,18-20,30H2,1-3H3,(H,31,35)/t25-/m1/s1
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| InChIKey |
YIHNIXKILNDSHD-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