General Information of the Compound
| Compound ID |
CP0959160
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| Compound Name |
1-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)azetidine-3-carboxamide
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| Structure |
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| Formula |
C26H29F3N4O
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| Molecular Weight |
470.539
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CC(C(N)=O)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C26H29F3N4O/c1-14-8-18-17-6-4-5-7-21(17)31-23(18)24(33(14)13-26(2,3)29)22-19(27)9-16(10-20(22)28)32-11-15(12-32)25(30)34/h4-7,9-10,14-15,24,31H,8,11-13H2,1-3H3,(H2,30,34)/t14-,24-/m1/s1
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| InChIKey |
XZUFSGWLOOWSSJ-JBEBIEQOSA-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