General Information of the Compound
| Compound ID |
CP0379628
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| Compound Name |
2-[4-[[7-[(2,4-dichlorophenyl)carbamoyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methylphenoxy]acetic acid
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| Structure |
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| Formula |
C25H23Cl2N3O4
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| Molecular Weight |
500.382
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| Canonical SMILES |
Cc1cc(CN2Cc3cccnc3CC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C25H23Cl2N3O4/c1-15-9-16(4-7-23(15)34-14-24(31)32)12-30-13-17-3-2-8-28-21(17)11-22(30)25(33)29-20-6-5-18(26)10-19(20)27/h2-10,22H,11-14H2,1H3,(H,29,33)(H,31,32)
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| InChIKey |
VVAMVPWLMUAPRN-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