General Information of the Compound
| Compound ID |
CP0461301
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| Compound Name |
5-Phenyl-3-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3H-pyrimidin-4-one
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
O=c1c(cncn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C22H23N3O/c26-22-20(18-9-3-1-4-10-18)15-23-17-25(22)21(16-24-13-7-8-14-24)19-11-5-2-6-12-19/h1-6,9-12,15,17,21H,7-8,13-14,16H2
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| InChIKey |
HRAJKYKDOGNEMT-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