General Information of the Compound
| Compound ID |
CP0888384
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| Compound Name |
SID14722899
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| Structure |
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| Formula |
C17H13ClN6O3
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| Molecular Weight |
384.783
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| Canonical SMILES |
O=C(NCc1ccco1)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1
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| InChI |
InChI=1S/C17H13ClN6O3/c18-12-6-2-1-4-10(12)9-24-15-13(22-23-24)16(25)21-14(20-15)17(26)19-8-11-5-3-7-27-11/h1-7H,8-9H2,(H,19,26)(H,20,21,25)
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| InChIKey |
IJQIIPRLFSVJQO-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