General Information of the Compound
| Compound ID |
CP0536236
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| Compound Name |
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
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| Structure |
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| Formula |
C15H20ClN5
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| Molecular Weight |
305.813
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| Canonical SMILES |
CNc1nc(NCC2CCN(C)C2)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C15H20ClN5/c1-17-14-12-7-11(16)3-4-13(12)19-15(20-14)18-8-10-5-6-21(2)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18,19,20)
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| InChIKey |
WHDUNKYGGPSGFZ-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