General Information of the Compound
| Compound ID |
CP0421755
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| Compound Name |
2,8-Dimethyl-5-[(Z)-2-(4-trifluoromethylphenyl)vinyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C22H21F3N2
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| Molecular Weight |
370.418
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| Canonical SMILES |
CN1CCc2c(C1)c1cc(C)ccc1n2\C=C/c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N2/c1-15-3-8-20-18(13-15)19-14-26(2)11-10-21(19)27(20)12-9-16-4-6-17(7-5-16)22(23,24)25/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-
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| InChIKey |
LZUIBAORLZILET-XFXZXTDPSA-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