General Information of the Compound
| Compound ID |
CP0140114
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| Compound Name |
7-(6-aminopyridin-3-yl)-1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide
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| Structure |
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| Formula |
C22H19F3N6O
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| Molecular Weight |
440.429
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| Canonical SMILES |
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1ccc(N)nc1
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| InChI |
InChI=1S/C22H19F3N6O/c23-22(24,25)19(10-1-2-10)31-21-17-13-5-3-11(12-4-6-16(26)28-8-12)7-15(13)30-18(17)14(9-29-21)20(27)32/h3-10,19,30H,1-2H2,(H2,26,28)(H2,27,32)(H,29,31)/t19-/m1/s1
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| InChIKey |
GOEHQYOOVNZIEI-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