General Information of the Compound
| Compound ID |
CP0408866
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| Compound Name |
(E)-N-[4-methyl-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H29F3N6O3
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| Molecular Weight |
554.573
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| Canonical SMILES |
CN1CCN(C2CCN(CC2)c2nc(C)c3cc(NC(=O)\C=C\c4ccc(OC(F)(F)F)cc4)ccc3n2)C1=O
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| InChI |
InChI=1S/C28H29F3N6O3/c1-18-23-17-20(33-25(38)10-5-19-3-7-22(8-4-19)40-28(29,30)31)6-9-24(23)34-26(32-18)36-13-11-21(12-14-36)37-16-15-35(2)27(37)39/h3-10,17,21H,11-16H2,1-2H3,(H,33,38)/b10-5+
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| InChIKey |
MQGZHPDIMBWCGK-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