General Information of the Compound
| Compound ID |
CP0086612
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| Compound Name |
1-[[(1S)-1-cyclopropyl-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 |
C21H19F3N6O
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| Molecular Weight |
428.418
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc2c(c1)[nH]c1c(cnc(N[C@@H](C3CC3)C(F)(F)F)c21)C(N)=O
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| InChI |
InChI=1S/C21H19F3N6O/c1-30-9-12(7-27-30)11-4-5-13-15(6-11)28-17-14(19(25)31)8-26-20(16(13)17)29-18(10-2-3-10)21(22,23)24/h4-10,18,28H,2-3H2,1H3,(H2,25,31)(H,26,29)/t18-/m0/s1
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| InChIKey |
KFXMLXYIPRAORY-SFHVURJKSA-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