General Information of the Compound
| Compound ID |
CP0516067
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| Compound Name |
4-[3-(2,6-dichloro-N-methylanilino)indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C21H15Cl2N3O2
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| Molecular Weight |
412.276
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| Canonical SMILES |
CN(c1nn(-c2ccc(cc2)C(O)=O)c2ccccc12)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C21H15Cl2N3O2/c1-25(19-16(22)6-4-7-17(19)23)20-15-5-2-3-8-18(15)26(24-20)14-11-9-13(10-12-14)21(27)28/h2-12H,1H3,(H,27,28)
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| InChIKey |
QETOUYDAQCBBHM-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