General Information of the Compound
| Compound ID |
CP0578436
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| Compound Name |
(4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}piperidin-1-yl)acetic acid
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| Structure |
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| Formula |
C26H29FN4O3
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| Molecular Weight |
464.541
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1CCN(CC(O)=O)CC1
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| InChI |
InChI=1S/C26H29FN4O3/c1-34-24-3-2-18(27)14-21(24)20-4-9-28-26-22(20)15-23(29-26)17-5-12-31(13-6-17)19-7-10-30(11-8-19)16-25(32)33/h2-5,9,14-15,19H,6-8,10-13,16H2,1H3,(H,28,29)(H,32,33)
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| InChIKey |
IPEXWMRLQXTKEW-UHFFFAOYSA-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