General Information of the Compound
| Compound ID |
CP0555904
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[5-methoxy-2-[methyl(pyridin-2-yl)carbamoyl]phenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C32H37N3O5
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| Molecular Weight |
543.664
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| Canonical SMILES |
COc1ccc(C(=O)N(C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C32H37N3O5/c1-34(30-8-3-4-15-33-30)32(38)27-12-11-25(39-2)19-29(27)35-16-13-22(14-17-35)21-40-26-7-5-6-24(18-26)28(20-31(36)37)23-9-10-23/h3-8,11-12,15,18-19,22-23,28H,9-10,13-14,16-17,20-21H2,1-2H3,(H,36,37)
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| InChIKey |
RHQBYEABGCFDDR-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