General Information of the Compound
| Compound ID |
CP0147397
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| Compound Name |
3-[6-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1-oxo-3,4-dihydro-2(1H)-isoquinolinyl]benzoic acid
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| Structure |
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| Formula |
C29H24Cl2N2O5
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| Molecular Weight |
551.426
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc2C(=O)N(CCc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H24Cl2N2O5/c1-16(2)27-22(26(32-38-27)25-23(30)7-4-8-24(25)31)15-37-20-9-10-21-17(14-20)11-12-33(28(21)34)19-6-3-5-18(13-19)29(35)36/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,35,36)
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| InChIKey |
OKXAKDBWNJEFJW-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