General Information of the Compound
| Compound ID |
CP0400077
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| Compound Name |
(E)-N-[2-[4-[(2-hydroxyacetyl)amino]piperidin-1-yl]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H26F3N5O4
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| Molecular Weight |
529.519
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)NC(=O)CO
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| InChI |
InChI=1S/C26H26F3N5O4/c1-16-21-14-19(32-23(36)9-4-17-2-6-20(7-3-17)38-26(27,28)29)5-8-22(21)33-25(30-16)34-12-10-18(11-13-34)31-24(37)15-35/h2-9,14,18,35H,10-13,15H2,1H3,(H,31,37)(H,32,36)/b9-4+
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| InChIKey |
CHMSMLLJGXNQMJ-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