General Information of the Compound
| Compound ID |
CP0394567
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| Compound Name |
methyl (2S)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-(4-naphthalen-2-ylphenyl)propanoate
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO
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| InChI |
InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1
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| InChIKey |
KJRODMKCYYDVOU-VWLOTQADSA-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