General Information of the Compound
| Compound ID |
CP0181744
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| Compound Name |
(4aR,11R,11aS)-11-methyl-2-[3-(oxan-4-yl)propyl]-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 |
C25H33F3N2O
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| Molecular Weight |
434.546
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| Canonical SMILES |
C[C@@H]1[C@H]2CN(CCCC3CCOCC3)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F
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| InChI |
InChI=1S/C25H33F3N2O/c1-16-21-15-30(9-2-3-17-7-11-31-12-8-17)10-6-18(21)13-23-24(16)20-14-19(25(26,27)28)4-5-22(20)29-23/h4-5,14,16-18,21,29H,2-3,6-13,15H2,1H3/t16-,18-,21-/m1/s1
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| InChIKey |
VGWOOKCYUNUQRH-HGHGUNKESA-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
Protein ID: PT01388, Melanin-concentrating hormone receptor 1
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2