General Information of the Compound
| Compound ID |
CP0488004
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| Compound Name |
3-[[4-[1-[5-(3,5-dichlorophenyl)indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H27Cl2N3O3
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| Molecular Weight |
524.448
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C28H27Cl2N3O3/c1-17(2)11-26(18-3-5-19(6-4-18)28(36)31-10-9-27(34)35)33-25-8-7-20(12-22(25)16-32-33)21-13-23(29)15-24(30)14-21/h3-8,12-17,26H,9-11H2,1-2H3,(H,31,36)(H,34,35)
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| InChIKey |
BWEFDLLLWJITJK-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