General Information of the Compound
| Compound ID |
CP0219217
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| Compound Name |
2-methoxy-5-[3-[(3-methylphenyl)carbamoylamino]-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C32H30N2O5
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| Molecular Weight |
522.601
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1
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| InChI |
InChI=1S/C32H30N2O5/c1-20-7-5-10-24(17-20)33-32(37)34-27-19-23(22-13-15-28(38-2)26(18-22)31(35)36)14-16-30(27)39-29-12-6-9-21-8-3-4-11-25(21)29/h5-7,9-10,12-19H,3-4,8,11H2,1-2H3,(H,35,36)(H2,33,34,37)
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| InChIKey |
SSUQEFNUCUXHQL-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