General Information of the Compound
| Compound ID |
CP0543996
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| Compound Name |
6-(5-methyl-1H-pyrazol-4-yl)-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C22H21N5O
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| Molecular Weight |
371.444
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| Canonical SMILES |
Cc1[nH]ncc1-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CNC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C22H21N5O/c1-13-17(12-24-27-13)15-7-8-20-16(9-15)22(28)26-21(25-20)19-11-23-10-18(19)14-5-3-2-4-6-14/h2-9,12,18-19,23H,10-11H2,1H3,(H,24,27)(H,25,26,28)/t18-,19+/m0/s1
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| InChIKey |
DXRQXQREFAHWMM-RBUKOAKNSA-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