General Information of the Compound
| Compound ID |
CP0577693
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| Compound Name |
(2S)-N-[(1S)-1-[5-(2-cyclopropyl-7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C34H45N5O3
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| Molecular Weight |
571.766
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1cc2ccc(nc2cc1OC)C1CC1
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| InChI |
InChI=1S/C34H45N5O3/c1-4-24(40)8-6-5-7-9-28(38-33(41)26-20-34(26)14-16-39(2)17-15-34)32-35-21-30(37-32)25-18-23-12-13-27(22-10-11-22)36-29(23)19-31(25)42-3/h12-13,18-19,21-22,26,28H,4-11,14-17,20H2,1-3H3,(H,35,37)(H,38,41)/t26-,28+/m1/s1
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| InChIKey |
XRDOFKVGBAKJRK-IAPPQJPRSA-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