General Information of the Compound
| Compound ID |
CP0419721
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| Compound Name |
(R)-N-(1-(5-((1H-indol-3-yl)methyl)-4-(4-methoxybenzyl)-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 |
C33H35N7O2
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| Molecular Weight |
561.69
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| Canonical SMILES |
COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C33H35N7O2/c1-33(2,34)32(41)37-29(16-22-18-35-27-10-6-4-8-25(22)27)31-39-38-30(17-23-19-36-28-11-7-5-9-26(23)28)40(31)20-21-12-14-24(42-3)15-13-21/h4-15,18-19,29,35-36H,16-17,20,34H2,1-3H3,(H,37,41)/t29-/m1/s1
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| InChIKey |
RJFDSGYXWDYUDR-GDLZYMKVSA-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