General Information of the Compound
| Compound ID |
CP0955788
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| Compound Name |
(S)-N-(5-(2-cyclopropylbenzamido)-1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)pentyl)thiazole-5-carboxamide
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| Formula |
C32H31N5O2S
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| Molecular Weight |
549.7
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| Canonical SMILES |
O=C(N[C@@H](CCCCNC(=O)c1ccccc1C1CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
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| InChI |
InChI=1S/C32H31N5O2S/c38-31(26-10-4-3-9-25(26)22-13-14-22)34-16-6-5-11-27(37-32(39)29-19-33-20-40-29)30-35-18-28(36-30)24-15-12-21-7-1-2-8-23(21)17-24/h1-4,7-10,12,15,17-20,22,27H,5-6,11,13-14,16H2,(H,34,38)(H,35,36)(H,37,39)/t27-/m0/s1
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| InChIKey |
DPTRGZNSYOSURO-MHZLTWQESA-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