General Information of the Compound
| Compound ID |
CP0380975
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| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-(benzhydrylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
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| Structure |
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| Formula |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)C(C)=O)C1=O
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| InChI |
InChI=1S/C28H32N6O2/c1-19(2)34-18-23-25(27(34)36)30-28(33-16-14-32(15-17-33)20(3)35)31-26(23)29-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,24H,14-18H2,1-3H3,(H,29,30,31)
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| InChIKey |
GBKVUQVWUBJGLI-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