General Information of the Compound
| Compound ID |
CP0962478
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| Compound Name |
1-(4-(4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-enyl)piperidine-4-carboxylic acid
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| Formula |
C27H29F2N3O3
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| Molecular Weight |
481.543
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| Canonical SMILES |
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@H](CC(=O)O)CC4)CC3)cc12
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| InChI |
InChI=1S/C27H29F2N3O3/c1-35-24-7-4-18(28)13-20(24)26-21-14-23(31-27(21)30-15-22(26)29)17-8-10-32(11-9-17)19-5-2-16(3-6-19)12-25(33)34/h4,7-8,13-16,19H,2-3,5-6,9-12H2,1H3,(H,30,31)(H,33,34)/t16-,19-
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| InChIKey |
DIJOGBQYCAXFRN-RUCARUNLSA-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