General Information of the Compound
| Compound ID |
CP0362781
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| Compound Name |
7-[(3S)-7-fluoro-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C22H23FN2O3
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| Molecular Weight |
382.435
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| Canonical SMILES |
CC(C)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2CCC(=O)Nc2c1
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| InChI |
InChI=1S/C22H23FN2O3/c1-13(2)9-17-12-28-20-11-16(23)6-7-19(20)25(17)22(27)15-4-3-14-5-8-21(26)24-18(14)10-15/h3-4,6-7,10-11,13,17H,5,8-9,12H2,1-2H3,(H,24,26)/t17-/m0/s1
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| InChIKey |
NFJHLNVAXBXQAY-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