General Information of the Compound
| Compound ID |
CP0415757
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[2-(4-chlorophenyl)propylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C24H31ClN6O2
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| Molecular Weight |
471.005
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NCC(C)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C24H31ClN6O2/c1-15(2)31-14-20-21(23(31)33)27-24(30-11-9-29(10-12-30)17(4)32)28-22(20)26-13-16(3)18-5-7-19(25)8-6-18/h5-8,15-16H,9-14H2,1-4H3,(H,26,27,28)
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| InChIKey |
HZUJINQLAALSOQ-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