General Information of the Compound
| Compound ID |
CP0150712
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| Compound Name |
1-[[(1R)-1-cyclobutyl-2,2,2-trifluoroethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
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| Structure |
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| Formula |
C22H21F3N6O
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| Molecular Weight |
442.445
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@H](C3CCC3)C(F)(F)F)c21)C(N)=O
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| InChI |
InChI=1S/C22H21F3N6O/c1-31-10-13(8-28-31)12-5-6-14-16(7-12)29-18-15(20(26)32)9-27-21(17(14)18)30-19(22(23,24)25)11-3-2-4-11/h5-11,19,29H,2-4H2,1H3,(H2,26,32)(H,27,30)/t19-/m1/s1
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| InChIKey |
QRTDJXYSBUIPST-LJQANCHMSA-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