General Information of the Compound
| Compound ID |
CP0437211
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| Compound Name |
(E)-3-[4-[[3-[(dimethylamino)methyl]indol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
CN(C)Cc1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
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| InChI |
InChI=1S/C21H23N3O2/c1-23(2)14-18-15-24(20-6-4-3-5-19(18)20)13-17-9-7-16(8-10-17)11-12-21(25)22-26/h3-12,15,26H,13-14H2,1-2H3,(H,22,25)/b12-11+
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| InChIKey |
VIXAJOMLPJWKPN-VAWYXSNFSA-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: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6