General Information of the Compound
| Compound ID |
CP0397922
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| Compound Name |
(E)-N-[4-methyl-2-[4-(2-oxopiperidin-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 |
C29H30F3N5O3
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| Molecular Weight |
553.585
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCCC1=O
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| InChI |
InChI=1S/C29H30F3N5O3/c1-19-24-18-21(34-26(38)12-7-20-5-9-23(10-6-20)40-29(30,31)32)8-11-25(24)35-28(33-19)36-16-13-22(14-17-36)37-15-3-2-4-27(37)39/h5-12,18,22H,2-4,13-17H2,1H3,(H,34,38)/b12-7+
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| InChIKey |
AQMDWSLAJBAKTJ-KPKJPENVSA-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