General Information of the Compound
| Compound ID |
CP0513883
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[[1-(4-chlorophenyl)cyclobutyl]methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C26H33ClN6O2
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| Molecular Weight |
497.043
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NCC2(CCC2)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C26H33ClN6O2/c1-17(2)33-15-21-22(24(33)35)29-25(32-13-11-31(12-14-32)18(3)34)30-23(21)28-16-26(9-4-10-26)19-5-7-20(27)8-6-19/h5-8,17H,4,9-16H2,1-3H3,(H,28,29,30)
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| InChIKey |
YFZDMDKJMXKVQS-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