General Information of the Compound
| Compound ID |
CP0128259
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| Compound Name |
(E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-N-(4-fluorobenzyl)-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-but-2-enamide
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| Structure |
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| Formula |
C26H29FN2O5
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| Molecular Weight |
468.525
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| Canonical SMILES |
COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c(O)c1
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| InChI |
InChI=1S/C26H29FN2O5/c1-34-21-11-12-22(24(31)15-21)23(30)13-14-26(33)29(16-18-7-9-19(27)10-8-18)17-25(32)28-20-5-3-2-4-6-20/h7-15,20,31H,2-6,16-17H2,1H3,(H,28,32)/b14-13+
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| InChIKey |
CULNYHSRVYKPNM-BUHFOSPRSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor