General Information of the Compound
Compound ID |
CP0208501
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Compound Name |
(1E)-1-[amino-[(4,6-dimethyl-2-quinazolinyl)amino]methylidene]-3-cyclohexylurea
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Structure |
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Formula |
C18H24N6O
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Molecular Weight |
340.431
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Canonical SMILES |
Cc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1
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InChI |
InChI=1S/C18H24N6O/c1-11-8-9-15-14(10-11)12(2)20-17(22-15)23-16(19)24-18(25)21-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H4,19,20,21,22,23,24,25)
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InChIKey |
IJFNMWRASZLSEN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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