General Information of the Compound
| Compound ID |
CP0549223
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-thiophen-2-ylpyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C26H21Cl2N3O3S
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| Molecular Weight |
526.445
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)n1nc(cc1-c1cccs1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C26H21Cl2N3O3S/c27-18-11-17(12-19(28)13-18)21-14-23(24-2-1-9-35-24)31(30-21)22-6-4-15-10-16(3-5-20(15)22)26(34)29-8-7-25(32)33/h1-3,5,9-14,22H,4,6-8H2,(H,29,34)(H,32,33)
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| InChIKey |
BAHMPQDACGDTIV-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