General Information of the Compound
| Compound ID |
CP0475218
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| Compound Name |
[11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]-(oxolan-3-yl)methanone
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| Structure |
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| Formula |
C22H25F3N2O2
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| Molecular Weight |
406.448
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| Canonical SMILES |
CC1C2CN(CCC2Cc2[nH]c3ccc(cc3c12)C(F)(F)F)C(=O)C1CCOC1
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| InChI |
InChI=1S/C22H25F3N2O2/c1-12-17-10-27(21(28)14-5-7-29-11-14)6-4-13(17)8-19-20(12)16-9-15(22(23,24)25)2-3-18(16)26-19/h2-3,9,12-14,17,26H,4-8,10-11H2,1H3
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| InChIKey |
KCGXXRBMPRXFSA-UHFFFAOYSA-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