General Information of the Compound
| Compound ID |
CP0474120
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| Compound Name |
6-(1H-pyrazol-4-yl)-2-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C22H18F3N5O
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| Molecular Weight |
425.414
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
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| InChI |
InChI=1S/C22H18F3N5O/c23-22(24,25)15-4-1-12(2-5-15)17-10-26-11-18(17)20-29-19-6-3-13(14-8-27-28-9-14)7-16(19)21(31)30-20/h1-9,17-18,26H,10-11H2,(H,27,28)(H,29,30,31)/t17-,18+/m0/s1
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| InChIKey |
OPAKYLFMNWKYEP-ZWKOTPCHSA-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