General Information of the Compound
| Compound ID |
CP0506148
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| Compound Name |
(5S)-7,9-difluoro-2,2,4-trimethyl-5-[(1R)-3-methylcyclohex-2-en-1-yl]-1,5-dihydrochromeno[3,4-f]quinoline
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| Structure |
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| Formula |
C26H27F2NO
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| Molecular Weight |
407.504
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| Canonical SMILES |
CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24+/m1/s1
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| InChIKey |
NNEGFNICKYKFDF-GYCJOSAFSA-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