General Information of the Compound
| Compound ID |
CP0474309
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| Compound Name |
1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(3,5-difluorophenyl)thiourea
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| Structure |
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| Formula |
C21H14ClF2N5S
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| Molecular Weight |
441.894
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| Canonical SMILES |
Fc1cc(F)cc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1
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| InChI |
InChI=1S/C21H14ClF2N5S/c22-12-2-1-3-15(6-12)27-20-18-10-16(4-5-19(18)25-11-26-20)28-21(30)29-17-8-13(23)7-14(24)9-17/h1-11H,(H,25,26,27)(H2,28,29,30)
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| InChIKey |
AJSVZSXZWIFNMH-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