General Information of the Compound
| Compound ID |
CP0526354
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| Compound Name |
3-[[4-[1-[5-(6-methoxynaphthalen-2-yl)-4-methyl-3-(3-methylphenyl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H33N3O4
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| Molecular Weight |
547.655
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1c(C)c(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cccc(C)c1
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| InChI |
InChI=1S/C34H33N3O4/c1-21-6-5-7-28(18-21)32-22(2)33(29-13-12-27-20-30(41-4)15-14-26(27)19-29)37(36-32)23(3)24-8-10-25(11-9-24)34(40)35-17-16-31(38)39/h5-15,18-20,23H,16-17H2,1-4H3,(H,35,40)(H,38,39)
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| InChIKey |
XPJALVJGGXMTAB-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