General Information of the Compound
| Compound ID |
CP0743168
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| Compound Name |
CO-ADD:0136616
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| Structure |
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| Formula |
C19H13ClN2O2
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| Molecular Weight |
336.778
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| Canonical SMILES |
O=C(Nc1ccc(Cl)cc1)c1cc2c(cc1O)[nH]c1ccccc12
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| InChI |
InChI=1S/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23/h1-10,22-23H,(H,21,24)
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| InChIKey |
PPLNRTPNYCWODC-UHFFFAOYSA-N
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| CAS |
132-61-6
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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