General Information of the Compound
| Compound ID |
CP0518052
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| Compound Name |
3-[[4-[1-[5-(6-methoxynaphthalen-2-yl)-4-methyl-3-phenylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H31N3O4
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| Molecular Weight |
533.628
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1c(C)c(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C33H31N3O4/c1-21-31(24-7-5-4-6-8-24)35-36(32(21)28-14-13-27-20-29(40-3)16-15-26(27)19-28)22(2)23-9-11-25(12-10-23)33(39)34-18-17-30(37)38/h4-16,19-20,22H,17-18H2,1-3H3,(H,34,39)(H,37,38)
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| InChIKey |
ZREXHINWBCRPMF-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