General Information of the Compound
| Compound ID |
CP0433355
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| Compound Name |
(E)-N-[4-methyl-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H28F3N5O3
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| Molecular Weight |
539.558
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1=O
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| InChI |
InChI=1S/C28H28F3N5O3/c1-18-23-17-20(33-25(37)11-6-19-4-8-22(9-5-19)39-28(29,30)31)7-10-24(23)34-27(32-18)35-15-12-21(13-16-35)36-14-2-3-26(36)38/h4-11,17,21H,2-3,12-16H2,1H3,(H,33,37)/b11-6+
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| InChIKey |
FPPXBXDJKKLXJX-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