General Information of the Compound
| Compound ID |
CP0408857
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| Compound Name |
(E)-N-[4-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H30F3N5O3
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| Molecular Weight |
541.574
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
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| InChI |
InChI=1S/C28H30F3N5O3/c1-19-24-18-21(33-26(37)9-4-20-2-6-23(7-3-20)39-28(29,30)31)5-8-25(24)34-27(32-19)36-12-10-22(11-13-36)35-14-16-38-17-15-35/h2-9,18,22H,10-17H2,1H3,(H,33,37)/b9-4+
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| InChIKey |
SBJXSLMVEVXKIR-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