General Information of the Compound
| Compound ID |
CP0433353
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| Compound Name |
(E)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H28F3N5O4S
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| Molecular Weight |
575.613
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCS1(=O)=O
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| InChI |
InChI=1S/C27H28F3N5O4S/c1-18-23-17-20(32-25(36)10-5-19-3-7-22(8-4-19)39-27(28,29)30)6-9-24(23)33-26(31-18)34-14-11-21(12-15-34)35-13-2-16-40(35,37)38/h3-10,17,21H,2,11-16H2,1H3,(H,32,36)/b10-5+
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| InChIKey |
LCGNRPSUFRILES-BJMVGYQFSA-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