General Information of the Compound
| Compound ID |
CP0389846
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| Compound Name |
(E)-N-[2-[3-(methanesulfonamido)propylamino]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C23H24F3N5O4S
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| Molecular Weight |
523.537
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| Canonical SMILES |
Cc1nc(NCCCNS(C)(=O)=O)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
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| InChI |
InChI=1S/C23H24F3N5O4S/c1-15-19-14-17(7-10-20(19)31-22(29-15)27-12-3-13-28-36(2,33)34)30-21(32)11-6-16-4-8-18(9-5-16)35-23(24,25)26/h4-11,14,28H,3,12-13H2,1-2H3,(H,30,32)(H,27,29,31)/b11-6+
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| InChIKey |
MREPZABDPWOZAX-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