General Information of the Compound
| Compound ID |
CP0358695
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| Compound Name |
(E)-N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-4-(4-fluorophenyl)-4-oxobut-2-enamide
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| Structure |
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| Formula |
C25H26F2N2O3
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| Molecular Weight |
440.49
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| Canonical SMILES |
CC(C)(C)NC(=O)C(N(C1CC1)C(=O)\C=C\C(=O)c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26F2N2O3/c1-25(2,3)28-24(32)23(17-6-10-19(27)11-7-17)29(20-12-13-20)22(31)15-14-21(30)16-4-8-18(26)9-5-16/h4-11,14-15,20,23H,12-13H2,1-3H3,(H,28,32)/b15-14+
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| InChIKey |
RSPCURGJZZDUBD-CCEZHUSRSA-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