General Information of the Compound
| Compound ID |
CP0408861
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| Compound Name |
(E)-N-[2-[4-(2,5-dioxopyrrolidin-1-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 |
C28H26F3N5O4
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| Molecular Weight |
553.541
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1C(=O)CCC1=O
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| InChI |
InChI=1S/C28H26F3N5O4/c1-17-22-16-19(33-24(37)9-4-18-2-6-21(7-3-18)40-28(29,30)31)5-8-23(22)34-27(32-17)35-14-12-20(13-15-35)36-25(38)10-11-26(36)39/h2-9,16,20H,10-15H2,1H3,(H,33,37)/b9-4+
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| InChIKey |
ZFMWILDHXFMBDB-RUDMXATFSA-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