General Information of the Compound
| Compound ID |
CP0415756
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[2-(4-methylphenyl)ethylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C24H32N6O2
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| Molecular Weight |
436.56
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NCCc2ccc(C)cc2)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C24H32N6O2/c1-16(2)30-15-20-21(23(30)32)26-24(29-13-11-28(12-14-29)18(4)31)27-22(20)25-10-9-19-7-5-17(3)6-8-19/h5-8,16H,9-15H2,1-4H3,(H,25,26,27)
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| InChIKey |
XCTLDOSCQAKLHY-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