General Information of the Compound
| Compound ID |
CP0817824
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| Compound Name |
1-cyclohexyl-3-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]urea
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| Structure |
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| Formula |
C17H22N6O
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| Molecular Weight |
326.404
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| Canonical SMILES |
Cc1nc(N/C(N)=N/C(=O)NC2CCCCC2)nc2ccccc12
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| InChI |
InChI=1S/C17H22N6O/c1-11-13-9-5-6-10-14(13)21-16(19-11)22-15(18)23-17(24)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H4,18,19,20,21,22,23,24)
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| InChIKey |
UIMLXGUORUFPOZ-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: PT06172, Mothers against decapentaplegic homolog 3