General Information of the Compound
| Compound ID |
CP0383541
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| Compound Name |
N-(3-methylsulfanylphenyl)-2-(3-nitrophenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H16N4O2S
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| Molecular Weight |
388.452
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| Canonical SMILES |
CSc1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C21H16N4O2S/c1-28-17-9-5-7-15(13-17)22-21-18-10-2-3-11-19(18)23-20(24-21)14-6-4-8-16(12-14)25(26)27/h2-13H,1H3,(H,22,23,24)
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| InChIKey |
BVFBJTICMBXYKP-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