General Information of the Compound
| Compound ID |
CP0961946
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| Compound Name |
(S/R)-(6-Fluoro-1,9-dimethyl-1,3,4,5-tetrahydro-2H-pyrido-[4,3-b]indol-2-yl)-(5-(trifluoromethyl)-1H-pyrazol-3-yl)methanone
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| Formula |
C18H16F4N4O
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| Molecular Weight |
380.345
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| Canonical SMILES |
Cc1ccc(F)c2[nH]c3c(c12)[C@@H](C)N(C(=O)c1cc(C(F)(F)F)[nH]n1)CC3
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| InChI |
InChI=1S/C18H16F4N4O/c1-8-3-4-10(19)16-14(8)15-9(2)26(6-5-11(15)23-16)17(27)12-7-13(25-24-12)18(20,21)22/h3-4,7,9,23H,5-6H2,1-2H3,(H,24,25)/t9-/m1/s1
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| InChIKey |
VCLBFHAEHYVLJA-SECBINFHSA-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