General Information of the Compound
| Compound ID |
CP0891795
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| Compound Name |
SID99360007
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| Structure |
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| Formula |
C27H18ClN3O3
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| Molecular Weight |
467.912
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| Canonical SMILES |
O=C1NC(Cc2ccc(O)cc2)c2nc3ccc(Cl)cc3c(=O)n2-c2cc3ccccc3cc21
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| InChI |
InChI=1S/C27H18ClN3O3/c28-18-7-10-22-20(14-18)27(34)31-24-13-17-4-2-1-3-16(17)12-21(24)26(33)30-23(25(31)29-22)11-15-5-8-19(32)9-6-15/h1-10,12-14,23,32H,11H2,(H,30,33)
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| InChIKey |
OUSXWYRIPGADSB-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3