General Information of the Compound
| Compound ID |
CP0389847
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| Compound Name |
N-[3-[[4-methyl-6-[[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]quinazolin-2-yl]amino]propyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C26H26F3N5O3
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| Molecular Weight |
513.52
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| Canonical SMILES |
Cc1nc(NCCCNC(=O)C2CC2)nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12
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| InChI |
InChI=1S/C26H26F3N5O3/c1-16-21-15-19(33-23(35)12-5-17-3-9-20(10-4-17)37-26(27,28)29)8-11-22(21)34-25(32-16)31-14-2-13-30-24(36)18-6-7-18/h3-5,8-12,15,18H,2,6-7,13-14H2,1H3,(H,30,36)(H,33,35)(H,31,32,34)/b12-5+
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| InChIKey |
TVLWTWQWEDRMOO-LFYBBSHMSA-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