General Information of the Compound
| Compound ID |
CP0408905
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| Compound Name |
1-(cyclohexylmethyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiourea
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| Structure |
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| Formula |
C24H28N4O3S
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| Molecular Weight |
452.58
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(NC(=S)NCC4CCCCC4)cc3)c2cc1OC
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| InChI |
InChI=1S/C24H28N4O3S/c1-29-21-12-19-20(13-22(21)30-2)26-15-27-23(19)31-18-10-8-17(9-11-18)28-24(32)25-14-16-6-4-3-5-7-16/h8-13,15-16H,3-7,14H2,1-2H3,(H2,25,28,32)
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| InChIKey |
RBNNHHFJDATPRT-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: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha