General Information of the Compound
| Compound ID |
CP0967641
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| Compound Name |
2-(3,5-Dichloro-2-cyclobutoxy-benzoylamino)-5-fluoro-indan-2-carboxylic acid
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| Structure |
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| Formula |
C21H18Cl2FNO4
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| Molecular Weight |
438.282
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| Canonical SMILES |
O=C(NC1(C(=O)O)Cc2ccc(F)cc2C1)c1cc(Cl)cc(Cl)c1OC1CCC1
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| InChI |
InChI=1S/C21H18Cl2FNO4/c22-13-7-16(18(17(23)8-13)29-15-2-1-3-15)19(26)25-21(20(27)28)9-11-4-5-14(24)6-12(11)10-21/h4-8,15H,1-3,9-10H2,(H,25,26)(H,27,28)
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| InChIKey |
KXMYCMOTDIYDMS-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