General Information of the Compound
| Compound ID |
CP0856584
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| Compound Name |
SID49649794
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| Structure |
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| Formula |
C15H16ClN3O
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| Molecular Weight |
289.766
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| Canonical SMILES |
CC(C)(C)C(=O)/C(=C/c1ccc(Cl)cc1)n1cncn1
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| InChI |
InChI=1S/C15H16ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10H,1-3H3/b13-8-
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| InChIKey |
LACMLEGEQFCFAZ-JYRVWZFOSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3