General Information of the Compound
| Compound ID |
CP0406513
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| Compound Name |
(E)-3-[4-[[(3aS,8bR)-8b-hydroxy-3a-methyl-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
C[C@@]12Nc3ccccc3[C@]1(O)CCN2Cc1ccc(\C=C\C(=O)NO)cc1
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| InChI |
InChI=1S/C21H23N3O3/c1-20-21(26,17-4-2-3-5-18(17)22-20)12-13-24(20)14-16-8-6-15(7-9-16)10-11-19(25)23-27/h2-11,22,26-27H,12-14H2,1H3,(H,23,25)/b11-10+/t20-,21+/m0/s1
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| InChIKey |
XSPCNQCXKLBQPJ-HRZVIGLNSA-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: PT00995, Histone deacetylase 3
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8