General Information of the Compound
| Compound ID |
CP0136525
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| Compound Name |
(E)-1-(4-methylphenyl)-4-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ene-1,4-dione
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| Formula |
C31H32N6O2
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| Molecular Weight |
520.637
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)\C=C\C(=O)c2ccc(C)cc2)ncc1C
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| InChI |
InChI=1S/C31H32N6O2/c1-20(2)37-19-26(17-33-37)30-22(4)16-32-31(35-30)34-27-10-9-25-18-36(14-13-24(25)15-27)29(39)12-11-28(38)23-7-5-21(3)6-8-23/h5-12,15-17,19-20H,13-14,18H2,1-4H3,(H,32,34,35)/b12-11+
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| InChIKey |
GHWJXBANKVFCJG-VAWYXSNFSA-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