General Information of the Compound
| Compound ID |
CP0568450
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| Compound Name |
(7S)-7-[[2-(5-cyanoindol-1-yl)acetyl]amino]-7-[5-[4-[(dimethylamino)methyl]phenyl]-1,3-oxazol-2-yl]-N-methylheptanamide
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| Formula |
C31H36N6O3
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| Molecular Weight |
540.668
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| Canonical SMILES |
CNC(=O)CCCCC[C@H](NC(=O)Cn1ccc2cc(ccc12)C#N)c1ncc(o1)-c1ccc(CN(C)C)cc1
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| InChI |
InChI=1S/C31H36N6O3/c1-33-29(38)8-6-4-5-7-26(31-34-19-28(40-31)24-12-9-22(10-13-24)20-36(2)3)35-30(39)21-37-16-15-25-17-23(18-32)11-14-27(25)37/h9-17,19,26H,4-8,20-21H2,1-3H3,(H,33,38)(H,35,39)/t26-/m0/s1
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| InChIKey |
NXOLTHXMXKDRIS-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: PT00995, Histone deacetylase 3