General Information of the Compound
| Compound ID |
CP0407946
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| Compound Name |
1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(5-chloro-1,3-thiazol-2-yl)thiourea
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| Structure |
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| Formula |
C18H12Cl2N6S2
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| Molecular Weight |
447.376
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| Canonical SMILES |
Clc1cnc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)s1
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| InChI |
InChI=1S/C18H12Cl2N6S2/c19-10-2-1-3-11(6-10)24-16-13-7-12(4-5-14(13)22-9-23-16)25-17(27)26-18-21-8-15(20)28-18/h1-9H,(H,22,23,24)(H2,21,25,26,27)
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| InChIKey |
QSOAFXAKXAVTQH-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