General Information of the Compound
| Compound ID |
CP0291645
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| Compound Name |
(5S)-5-[(1S)-cyclohex-2-en-1-yl]-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
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| Structure |
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| Formula |
C25H25F2NO
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| Molecular Weight |
393.477
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)cc(F)c4O[C@@H]([C@H]4CCCC=C4)c3c12
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| InChI |
InChI=1S/C25H25F2NO/c1-14-13-25(2,3)28-20-10-9-17-18-11-16(26)12-19(27)24(18)29-23(22(17)21(14)20)15-7-5-4-6-8-15/h5,7,9-13,15,23,28H,4,6,8H2,1-3H3/t15-,23+/m1/s1
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| InChIKey |
NMWDBIDJPRRXIY-CMJOXMDJSA-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