General Information of the Compound
| Compound ID |
CP0575230
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| Compound Name |
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-phenylpiperidin-4-yl)methanone
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
O=C(C1CCN(CC1)c1ccccc1)N1N=CC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C21H23N3O/c25-21(24-20(11-14-22-24)17-7-3-1-4-8-17)18-12-15-23(16-13-18)19-9-5-2-6-10-19/h1-10,14,18,20H,11-13,15-16H2/t20-/m0/s1
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| InChIKey |
REVOJJXKVWMXFV-FQEVSTJZSA-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