General Information of the Compound
| Compound ID |
CP0473253
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| Compound Name |
tert-butyl N-[[1-[[4-(hydroxycarbamoyl)phenyl]methyl]indol-3-yl]methyl]carbamate
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| Structure |
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| Formula |
C22H25N3O4
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| Molecular Weight |
395.459
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| Canonical SMILES |
CC(C)(C)OC(=O)NCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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| InChI |
InChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)23-12-17-14-25(19-7-5-4-6-18(17)19)13-15-8-10-16(11-9-15)20(26)24-28/h4-11,14,28H,12-13H2,1-3H3,(H,23,27)(H,24,26)
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| InChIKey |
MMTWFUMOIHDRPF-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
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01443, Polyamine deacetylase HDAC10