General Information of the Compound
| Compound ID |
CP0204506
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| Compound Name |
(4aR,11R,11aS)-11-methyl-2-[4-(oxan-4-yl)butyl]-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
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| Structure |
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| Formula |
C26H35F3N2O
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| Molecular Weight |
448.573
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| Canonical SMILES |
C[C@@H]1[C@H]2CN(CCCCC3CCOCC3)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F
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| InChI |
InChI=1S/C26H35F3N2O/c1-17-22-16-31(10-3-2-4-18-8-12-32-13-9-18)11-7-19(22)14-24-25(17)21-15-20(26(27,28)29)5-6-23(21)30-24/h5-6,15,17-19,22,30H,2-4,7-14,16H2,1H3/t17-,19-,22-/m1/s1
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| InChIKey |
ZMARPWJFINEXBX-SFGWALBWSA-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