General Information of the Compound
| Compound ID |
CP0964123
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| Compound Name |
(1R,3R)-1-(4-(4,4-Difluoropiperidin-1-yl)-2,6-difluorophenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido-[3,4-b]indole
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| Structure |
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| Formula |
C27H30F5N3
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| Molecular Weight |
491.548
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(N3CCC(F)(F)CC3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C27H30F5N3/c1-16-12-19-18-6-4-5-7-22(18)33-24(19)25(35(16)15-26(2,3)30)23-20(28)13-17(14-21(23)29)34-10-8-27(31,32)9-11-34/h4-7,13-14,16,25,33H,8-12,15H2,1-3H3/t16-,25-/m1/s1
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| InChIKey |
OKXWJFWWRKAVIK-PUAOIOHZSA-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