General Information of the Compound
| Compound ID |
CP0110777
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[(4-chlorophenyl)methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C22H27ClN6O2
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| Molecular Weight |
442.951
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NCc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C22H27ClN6O2/c1-14(2)29-13-18-19(21(29)31)25-22(28-10-8-27(9-11-28)15(3)30)26-20(18)24-12-16-4-6-17(23)7-5-16/h4-7,14H,8-13H2,1-3H3,(H,24,25,26)
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| InChIKey |
ZLRNQUFXMFIXFC-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