General Information of the Compound
| Compound ID |
CP0480335
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| Compound Name |
N-[2-(dimethylamino)ethyl]-N-[1-[4-oxo-3-[4-(trifluoromethyl)phenyl]quinazolin-2-yl]ethyl]decanamide
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| Structure |
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| Formula |
C31H41F3N4O2
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| Molecular Weight |
558.689
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| Canonical SMILES |
CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H41F3N4O2/c1-5-6-7-8-9-10-11-16-28(39)37(22-21-36(3)4)23(2)29-35-27-15-13-12-14-26(27)30(40)38(29)25-19-17-24(18-20-25)31(32,33)34/h12-15,17-20,23H,5-11,16,21-22H2,1-4H3
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| InChIKey |
KGJHDEYCFBZVGY-UHFFFAOYSA-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