General Information of the Compound
| Compound ID |
CP0967747
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| Compound Name |
1-((3,5-Difluoro-4-((3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)amino)-cyclopropane-1-carboxylic Acid
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| Structure |
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| Formula |
C26H28F3N3O2
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| Molecular Weight |
471.523
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3(C(=O)O)CC3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C26H28F3N3O2/c1-14-10-17-16-6-4-5-7-20(16)30-22(17)23(32(14)13-25(2,3)29)21-18(27)11-15(12-19(21)28)31-26(8-9-26)24(33)34/h4-7,11-12,14,23,30-31H,8-10,13H2,1-3H3,(H,33,34)/t14-,23-/m1/s1
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| InChIKey |
AAIKXFHGTOZKQZ-QKFKETGDSA-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