General Information of the Compound
| Compound ID |
CP0400074
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| Compound Name |
N-[2-[[4-methyl-6-[[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]quinazolin-2-yl]amino]ethyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H24F3N5O3
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| Molecular Weight |
499.493
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| Canonical SMILES |
Cc1nc(NCCNC(=O)C2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
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| InChI |
InChI=1S/C25H24F3N5O3/c1-15-20-14-18(32-22(34)11-4-16-2-8-19(9-3-16)36-25(26,27)28)7-10-21(20)33-24(31-15)30-13-12-29-23(35)17-5-6-17/h2-4,7-11,14,17H,5-6,12-13H2,1H3,(H,29,35)(H,32,34)(H,30,31,33)/b11-4+
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| InChIKey |
HPBVOFKGWPGJPC-NYYWCZLTSA-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