General Information of the Compound
| Compound ID |
CP0458415
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| Compound Name |
1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiourea
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| Structure |
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| Formula |
C18H14ClN7S2
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| Molecular Weight |
427.946
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| Canonical SMILES |
Cc1nnc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)s1
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| InChI |
InChI=1S/C18H14ClN7S2/c1-10-25-26-18(28-10)24-17(27)23-13-5-6-15-14(8-13)16(21-9-20-15)22-12-4-2-3-11(19)7-12/h2-9H,1H3,(H,20,21,22)(H2,23,24,26,27)
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| InChIKey |
TXHBWQABUBILJP-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