General Information of the Compound
| Compound ID |
CP0426691
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| Compound Name |
(E)-N-[2-[4-[(2-methoxyacetyl)-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 |
C28H30F3N5O4
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| Molecular Weight |
557.573
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| Canonical SMILES |
COCC(=O)N(C)C1CCN(CC1)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
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| InChI |
InChI=1S/C28H30F3N5O4/c1-18-23-16-20(33-25(37)11-6-19-4-8-22(9-5-19)40-28(29,30)31)7-10-24(23)34-27(32-18)36-14-12-21(13-15-36)35(2)26(38)17-39-3/h4-11,16,21H,12-15,17H2,1-3H3,(H,33,37)/b11-6+
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| InChIKey |
TUUVRWKXDRBNGO-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