General Information of the Compound
| Compound ID |
CP0946595
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl)benzamide
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| Formula |
C37H36N6O3
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| Molecular Weight |
612.734
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C37H36N6O3/c1-46-30-19-16-27(17-20-30)25-43-34(21-18-26-10-4-2-5-11-26)41-42-36(43)33(22-29-23-38-32-15-9-8-14-31(29)32)40-35(44)24-39-37(45)28-12-6-3-7-13-28/h2-17,19-20,23,33,38H,18,21-22,24-25H2,1H3,(H,39,45)(H,40,44)/t33-/m1/s1
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| InChIKey |
GFIKKAGWEJEVJE-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