General Information of the Compound
| Compound ID |
CP0513579
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| Compound Name |
1-benzyl-3-[4-(pyridin-3-ylamino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C21H18N6S
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| Molecular Weight |
386.484
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| Canonical SMILES |
S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccnc3)c2c1
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| InChI |
InChI=1S/C21H18N6S/c28-21(23-12-15-5-2-1-3-6-15)27-16-8-9-19-18(11-16)20(25-14-24-19)26-17-7-4-10-22-13-17/h1-11,13-14H,12H2,(H2,23,27,28)(H,24,25,26)
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| InChIKey |
QMGWZQSPLHNVGG-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