General Information of the Compound
| Compound ID |
CP0206231
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| Compound Name |
(5Z)-4-[(1-benzyl-1H-indol-5-yl)amino]-5-{[3-methyl-5-(morpholin-4-ylcarbonyl)-1H-pyrrol-2-yl]methylidene}-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C32H29N7O3
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| Molecular Weight |
559.63
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| Canonical SMILES |
Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C32H29N7O3/c1-20-15-26(32(41)38-11-13-42-14-12-38)36-25(20)17-24-28-29(33-19-34-30(28)37-31(24)40)35-23-7-8-27-22(16-23)9-10-39(27)18-21-5-3-2-4-6-21/h2-10,15-17,19,36H,11-14,18H2,1H3,(H2,33,34,35,37,40)/b24-17-
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| InChIKey |
CBRVEUABHHKTIL-ULJHMMPZSA-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