General Information of the Compound
| Compound ID |
CP0160187
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| Compound Name |
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(2-morpholin-4-ylpyrimidin-5-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
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| Structure |
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| Formula |
C25H24F3N7O2
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| Molecular Weight |
511.508
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| Canonical SMILES |
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C25H24F3N7O2/c26-25(27,28)21(13-1-2-13)34-23-19-16-4-3-14(9-18(16)33-20(19)17(12-30-23)22(29)36)15-10-31-24(32-11-15)35-5-7-37-8-6-35/h3-4,9-13,21,33H,1-2,5-8H2,(H2,29,36)(H,30,34)/t21-/m1/s1
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| InChIKey |
DALGRIWHYIBOST-OAQYLSRUSA-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