General Information of the Compound
| Compound ID |
CP0294610
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| Compound Name |
(E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-N-(phenylmethyl)but-2-enamide
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| Structure |
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| Formula |
C26H30N2O5
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| Molecular Weight |
450.535
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| Canonical SMILES |
COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1
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| InChI |
InChI=1S/C26H30N2O5/c1-33-21-12-13-22(24(30)16-21)23(29)14-15-26(32)28(17-19-8-4-2-5-9-19)18-25(31)27-20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20,30H,3,6-7,10-11,17-18H2,1H3,(H,27,31)/b15-14+
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| InChIKey |
YYCNMRGMZROVGP-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor