General Information of the Compound
| Compound ID |
CP0910876
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| Compound Name |
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-cyano-3-p-tolylacrylamide
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| Formula |
C41H39N7O3
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| Molecular Weight |
677.809
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C41H39N7O3/c1-28-12-14-30(15-13-28)22-32(24-42)41(50)44-26-39(49)45-37(23-33-25-43-36-11-7-6-10-35(33)36)40-47-46-38(21-18-29-8-4-3-5-9-29)48(40)27-31-16-19-34(51-2)20-17-31/h3-17,19-20,22,25,37,43H,18,21,23,26-27H2,1-2H3,(H,44,50)(H,45,49)/b32-22+/t37-/m1/s1
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| InChIKey |
XICHPSAXUDZUGP-BHCMCYHMSA-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