General Information of the Compound
| Compound ID |
CP0552871
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| Compound Name |
N-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| Formula |
C29H32N6O2
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| Molecular Weight |
496.615
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| Canonical SMILES |
CC(C)n1cnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c2c1=O)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C29H32N6O2/c1-5-24(36)31-22-8-6-7-21(17-22)25-26-28(30-18-35(19(2)3)29(26)37)32-27(25)20-9-11-23(12-10-20)34-15-13-33(4)14-16-34/h5-12,17-19,32H,1,13-16H2,2-4H3,(H,31,36)
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| InChIKey |
CDHCIFPMFKCLCH-UHFFFAOYSA-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