General Information of the Compound
| Compound ID |
CP0486877
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| Compound Name |
N-[2-[3-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-6-methoxypyrrolo[2,3-b]pyridin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C25H29FN4O3
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| Molecular Weight |
452.53
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| Canonical SMILES |
COc1ccc2c(CN3CCC(CC3)C(=O)c3ccc(F)cc3)cn(CCNC(C)=O)c2n1
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| InChI |
InChI=1S/C25H29FN4O3/c1-17(31)27-11-14-30-16-20(22-7-8-23(33-2)28-25(22)30)15-29-12-9-19(10-13-29)24(32)18-3-5-21(26)6-4-18/h3-8,16,19H,9-15H2,1-2H3,(H,27,31)
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| InChIKey |
PLSDMMCMCKLASA-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B