General Information of the Compound
| Compound ID |
CP0408867
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| Compound Name |
(E)-N-[2-[4-[(2-hydroxyacetyl)-methylamino]piperidin-1-yl]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H28F3N5O4
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| Molecular Weight |
543.546
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| Canonical SMILES |
CN(C1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1)C(=O)CO
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| InChI |
InChI=1S/C27H28F3N5O4/c1-17-22-15-19(32-24(37)10-5-18-3-7-21(8-4-18)39-27(28,29)30)6-9-23(22)33-26(31-17)35-13-11-20(12-14-35)34(2)25(38)16-36/h3-10,15,20,36H,11-14,16H2,1-2H3,(H,32,37)/b10-5+
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| InChIKey |
OVBMBOAFMCWZQK-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