General Information of the Compound
| Compound ID |
CP0907057
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| Compound Name |
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-(2-morpholinoethyl)-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-cyano-3-phenylacrylamide
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| Formula |
C38H40N8O4
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| Molecular Weight |
672.79
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| Canonical SMILES |
COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccccc2)cc1
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| InChI |
InChI=1S/C38H40N8O4/c1-49-31-13-11-28(12-14-31)26-46-35(15-16-45-17-19-50-20-18-45)43-44-37(46)34(22-30-24-40-33-10-6-5-9-32(30)33)42-36(47)25-41-38(48)29(23-39)21-27-7-3-2-4-8-27/h2-14,21,24,34,40H,15-20,22,25-26H2,1H3,(H,41,48)(H,42,47)/b29-21+/t34-/m1/s1
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| InChIKey |
LFQNOOUXGCTEKD-QGPARTDRSA-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