General Information of the Compound
| Compound ID |
CP0298531
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| Compound Name |
(5S)-5-[(1S)-2,3-dimethylcyclohex-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 |
C27H29F2NO
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| Molecular Weight |
421.531
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| Canonical SMILES |
CC1=C(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/C27H29F2NO/c1-14-7-6-8-18(16(14)3)26-24-19(20-11-17(28)12-21(29)25(20)31-26)9-10-22-23(24)15(2)13-27(4,5)30-22/h9-13,18,26,30H,6-8H2,1-5H3/t18-,26-/m0/s1
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| InChIKey |
KSNTUZZVDDRCSZ-QYBDOPJKSA-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