General Information of the Compound
| Compound ID |
CP0452644
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-naphthalen-1-ylpyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H25Cl2N3O3
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| Molecular Weight |
570.476
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)n1nc(cc1-c1cccc2ccccc12)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C32H25Cl2N3O3/c33-23-15-22(16-24(34)17-23)28-18-30(27-7-3-5-19-4-1-2-6-25(19)27)37(36-28)29-11-9-20-14-21(8-10-26(20)29)32(40)35-13-12-31(38)39/h1-8,10,14-18,29H,9,11-13H2,(H,35,40)(H,38,39)
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| InChIKey |
ZZHORLBPRHAVIG-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