General Information of the Compound
| Compound ID |
CP0483503
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| Compound Name |
N-[5-(2-aminoanilino)-5-oxopentyl]-5-cyclopropyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H23N5O2S2
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| Molecular Weight |
441.582
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
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| InChI |
InChI=1S/C21H23N5O2S2/c22-14-5-1-2-6-15(14)25-16(27)7-3-4-10-23-19(28)17-18(13-8-9-13)30-21(26-17)20-24-11-12-29-20/h1-2,5-6,11-13H,3-4,7-10,22H2,(H,23,28)(H,25,27)
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| InChIKey |
AMSKTFZUOYSDNP-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: PT00991, Histone deacetylase 1
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6