General Information of the Compound
| Compound ID |
CP0543662
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| Compound Name |
(2S)-6-ethyl-N-[(1S)-1-[5-(6-methoxy-2-methylindazol-5-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Structure |
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| Formula |
C31H43N5O4
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| Molecular Weight |
549.716
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| Canonical SMILES |
CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc(o2)-c2cc3cn(C)nc3cc2OC)CC1
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| InChI |
InChI=1S/C31H43N5O4/c1-5-22(37)10-8-7-9-11-25(33-29(38)24-18-31(24)12-14-36(6-2)15-13-31)30-32-19-28(40-30)23-16-21-20-35(3)34-26(21)17-27(23)39-4/h16-17,19-20,24-25H,5-15,18H2,1-4H3,(H,33,38)/t24-,25+/m1/s1
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| InChIKey |
PTKWEPZZDJSNBS-RPBOFIJWSA-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3