General Information of the Compound
| Compound ID |
CP0064184
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| Compound Name |
C.I. Azoic Coupling Component 23
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| Structure |
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| Formula |
C19H16ClNO4
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| Molecular Weight |
357.793
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| Canonical SMILES |
COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl
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| InChI |
InChI=1S/C19H16ClNO4/c1-24-17-10-15(18(25-2)9-14(17)20)21-19(23)13-7-11-5-3-4-6-12(11)8-16(13)22/h3-10,22H,1-2H3,(H,21,23)
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| InChIKey |
QIHKTBRNOLQDGQ-UHFFFAOYSA-N
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| CAS |
40082-33-5
4273-92-1
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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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3