General Information of the Compound
| Compound ID |
CP0493357
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethoxybenzyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C35H32N8O3
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| Molecular Weight |
612.694
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C35H32N8O3/c1-45-24-13-11-23(31(17-24)46-2)21-43-32(14-12-22-18-38-28-9-5-3-7-25(22)28)41-42-34(43)33(40-35(44)30-20-36-15-16-37-30)27-19-39-29-10-6-4-8-26(27)29/h3-11,13,15-20,33,38-39H,12,14,21H2,1-2H3,(H,40,44)/t33-/m1/s1
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| InChIKey |
LNSFEUMTYGFBFA-MGBGTMOVSA-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