General Information of the Compound
| Compound ID |
CP0869058
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| Compound Name |
SID49734422
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| Structure |
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| Formula |
C16H17ClN4O4
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| Molecular Weight |
364.789
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| Canonical SMILES |
Cc1ccc(Cl)cc1N1CCN(C(=O)c2noc(C)c2[N+](=O)[O-])CC1
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| InChI |
InChI=1S/C16H17ClN4O4/c1-10-3-4-12(17)9-13(10)19-5-7-20(8-6-19)16(22)14-15(21(23)24)11(2)25-18-14/h3-4,9H,5-8H2,1-2H3
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| InChIKey |
HWJBINJCVFJUPX-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8