General Information of the Compound
| Compound ID |
CP0956023
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| Compound Name |
N-(4-((1R,3R)-2-(2,2-Difluoro-3-hydroxypropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3,5-difluorophenyl)-2-(3-(fluoromethyl)azetidin-1-yl)acetamide
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| Formula |
C27H29F5N4O2
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| Molecular Weight |
536.545
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC(=O)CN3CC(CF)C3)cc2F)N1CC(F)(F)CO
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| InChI |
InChI=1S/C27H29F5N4O2/c1-15-6-19-18-4-2-3-5-22(18)34-25(19)26(36(15)13-27(31,32)14-37)24-20(29)7-17(8-21(24)30)33-23(38)12-35-10-16(9-28)11-35/h2-5,7-8,15-16,26,34,37H,6,9-14H2,1H3,(H,33,38)/t15-,26-/m1/s1
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| InChIKey |
TXVCQLXSONGYHE-PVPMGCCUSA-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