General Information of the Compound
| Compound ID |
CP0914507
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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]-3-phenylpropiolamide
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| Formula |
C39H36N6O3
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| Molecular Weight |
636.756
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C#Cc2ccccc2)cc1
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| InChI |
InChI=1S/C39H36N6O3/c1-48-32-20-16-30(17-21-32)27-45-36(22-18-28-10-4-2-5-11-28)43-44-39(45)35(24-31-25-40-34-15-9-8-14-33(31)34)42-38(47)26-41-37(46)23-19-29-12-6-3-7-13-29/h2-17,20-21,25,35,40H,18,22,24,26-27H2,1H3,(H,41,46)(H,42,47)/t35-/m1/s1
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| InChIKey |
OPQRXDPGPBIALG-PGUFJCEWSA-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