General Information of the Compound
| Compound ID |
CP0902846
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| Compound Name |
(R)-2-cyano-N-[2-(1-(5-(2-(diethylamino)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-Indol-3-yl)ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)acrylamide
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| Formula |
C39H44N8O4
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| Molecular Weight |
688.833
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| Canonical SMILES |
CCN(CC)CCc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(OC)cc2)n1Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C39H44N8O4/c1-5-46(6-2)20-19-36-44-45-38(47(36)26-28-13-17-32(51-4)18-14-28)35(22-30-24-41-34-10-8-7-9-33(30)34)43-37(48)25-42-39(49)29(23-40)21-27-11-15-31(50-3)16-12-27/h7-18,21,24,35,41H,5-6,19-20,22,25-26H2,1-4H3,(H,42,49)(H,43,48)/b29-21+/t35-/m1/s1
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| InChIKey |
LPEDGKGPAPIVNH-JVETVIRESA-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