General Information of the Compound
| Compound ID |
CP0562040
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| Compound Name |
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-4-ylpiperidin-4-yl)methanone
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
O=C(C1CCN(CC1)c1ccncn1)N1N=CC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C19H21N5O/c25-19(24-17(6-11-22-24)15-4-2-1-3-5-15)16-8-12-23(13-9-16)18-7-10-20-14-21-18/h1-5,7,10-11,14,16-17H,6,8-9,12-13H2/t17-/m0/s1
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| InChIKey |
KLFSRAKMCCCTNJ-KRWDZBQOSA-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