General Information of the Compound
| Compound ID |
CP0436732
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| Compound Name |
N-[4-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]phenyl]phenyl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C31H35N5O4
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| Molecular Weight |
541.652
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| Canonical SMILES |
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
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| InChI |
InChI=1S/C31H35N5O4/c32-26(19-22-20-33-27-11-7-5-10-25(22)27)31(39)35-28-12-8-6-9-24(28)21-15-17-23(18-16-21)34-29(37)13-3-1-2-4-14-30(38)36-40/h5-12,15-18,20,26,33,40H,1-4,13-14,19,32H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m0/s1
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| InChIKey |
ACGVFMBQNSCSQI-SANMLTNESA-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: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01443, Polyamine deacetylase HDAC10