General Information of the Compound
| Compound ID |
CP0225828
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| Compound Name |
8-[(4-phenylpiperazin-1-yl)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H19N5O
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| Molecular Weight |
321.384
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| Canonical SMILES |
O=c1[nH]cnc2c(CN3CCN(CC3)c3ccccc3)nccc12
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| InChI |
InChI=1S/C18H19N5O/c24-18-15-6-7-19-16(17(15)20-13-21-18)12-22-8-10-23(11-9-22)14-4-2-1-3-5-14/h1-7,13H,8-12H2,(H,20,21,24)
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| InChIKey |
RLKIMBNWOBEMJO-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