General Information of the Compound
| Compound ID |
CP0389848
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[4-methyl-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C27H28ClN5O2
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| Molecular Weight |
490.007
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)N1CCCC1=O
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| InChI |
InChI=1S/C27H28ClN5O2/c1-18-23-17-21(30-25(34)11-6-19-4-7-20(28)8-5-19)9-10-24(23)31-27(29-18)32-15-12-22(13-16-32)33-14-2-3-26(33)35/h4-11,17,22H,2-3,12-16H2,1H3,(H,30,34)/b11-6+
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| InChIKey |
GHLQEKCZCZRZDW-IZZDOVSWSA-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