General Information of the Compound
| Compound ID |
CP0421832
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| Compound Name |
N-[(R)-[4-(2,4-dimethoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-(1H-indol-3-yl)methyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C33H30N6O3
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| Molecular Weight |
558.642
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| Canonical SMILES |
COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@H](NC(=O)c1ccccn1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C33H30N6O3/c1-41-23-16-17-28(29(20-23)42-2)39-30(18-15-22-10-4-3-5-11-22)37-38-32(39)31(36-33(40)27-14-8-9-19-34-27)25-21-35-26-13-7-6-12-24(25)26/h3-14,16-17,19-21,31,35H,15,18H2,1-2H3,(H,36,40)/t31-/m1/s1
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| InChIKey |
SQCPYKLNMXWOBC-WJOKGBTCSA-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