General Information of the Compound
| Compound ID |
CP0061782
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| Compound Name |
N-benzyl-6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C25H24N4
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| Molecular Weight |
380.495
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| Canonical SMILES |
CN(C)c1ccc(\C=C\c2ccc3ncnc(NCc4ccccc4)c3c2)cc1
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| InChI |
InChI=1S/C25H24N4/c1-29(2)22-13-10-19(11-14-22)8-9-20-12-15-24-23(16-20)25(28-18-27-24)26-17-21-6-4-3-5-7-21/h3-16,18H,17H2,1-2H3,(H,26,27,28)/b9-8+
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| InChIKey |
KPIQHODXSDMYLR-CMDGGOBGSA-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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