General Information of the Compound
| Compound ID |
CP0442415
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| Compound Name |
N-[1-[[2-chloro-4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C29H32ClFN4O4
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| Molecular Weight |
555.05
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1
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| InChI |
InChI=1S/C29H32ClFN4O4/c30-24-15-19(28(37)32-9-14-34-10-1-2-11-34)3-4-20(24)18-35-12-7-22(8-13-35)33-29(38)27-17-25(36)23-6-5-21(31)16-26(23)39-27/h3-6,15-17,22H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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| InChIKey |
PZICIGRTMMYGOU-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2