General Information of the Compound
| Compound ID |
CP0473205
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| Compound Name |
3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H29Cl2N3O4
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| Molecular Weight |
602.518
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1c(C)c(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C33H29Cl2N3O4/c1-19-31(26-15-27(34)18-28(35)16-26)37-38(32(19)25-9-8-24-17-29(42-3)11-10-23(24)14-25)20(2)21-4-6-22(7-5-21)33(41)36-13-12-30(39)40/h4-11,14-18,20H,12-13H2,1-3H3,(H,36,41)(H,39,40)/t20-/m0/s1
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| InChIKey |
DIMJDZRCNOLERT-FQEVSTJZSA-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