General Information of the Compound
| Compound ID |
CP0887480
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| Compound Name |
SID56316824
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| Structure |
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| Formula |
C18H19ClN4O5
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| Molecular Weight |
406.826
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| Canonical SMILES |
COc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCN)cc1.Cl
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| InChI |
InChI=1S/C18H18N4O5.ClH/c1-27-14-6-3-12(4-7-14)18(23)17-15-8-5-13(22(25)26)11-16(15)21(24)20(17)10-2-9-19;/h3-8,11H,2,9-10,19H2,1H3;1H
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| InChIKey |
JYKJSARLBLEJAX-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: PT06172, Mothers against decapentaplegic homolog 3