General Information of the Compound
| Compound ID |
CP0400104
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| Compound Name |
(E)-N-[4-methyl-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]but-2-enamide
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| Structure |
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| Formula |
C29H30F3N5O3
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| Molecular Weight |
553.585
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| Canonical SMILES |
C\C(=C/C(=O)Nc1ccc2nc(nc(C)c2c1)N1CCC(CC1)N1CCCC1=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H30F3N5O3/c1-18(20-5-8-23(9-6-20)40-29(30,31)32)16-26(38)34-21-7-10-25-24(17-21)19(2)33-28(35-25)36-14-11-22(12-15-36)37-13-3-4-27(37)39/h5-10,16-17,22H,3-4,11-15H2,1-2H3,(H,34,38)/b18-16+
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| InChIKey |
PCGFEMQZPUYTBH-FBMGVBCBSA-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