General Information of the Compound
| Compound ID |
CP0857410
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| Compound Name |
SID49648347
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| Structure |
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| Formula |
C17H18N4
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| Molecular Weight |
278.359
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| Canonical SMILES |
CCC(C)Nc1nc(-c2ccccn2)nc2ccccc12
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| InChI |
InChI=1S/C17H18N4/c1-3-12(2)19-16-13-8-4-5-9-14(13)20-17(21-16)15-10-6-7-11-18-15/h4-12H,3H2,1-2H3,(H,19,20,21)
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| InChIKey |
UKHAMZBIMNTOHU-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: PT06101, Latent membrane protein 1
Protein ID: PT06172, Mothers against decapentaplegic homolog 3