General Information of the Compound
| Compound ID |
CP0111847
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| Compound Name |
4-[4-(5-cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-2-oxo-pyrrolidin-1-yl]-adamantane-1-carboxylic acid amide
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| Formula |
C24H30N4O3
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| Molecular Weight |
422.529
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| Canonical SMILES |
CC1(C)C(COc2ccc(cn2)C#N)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O
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| InChI |
InChI=1S/C24H30N4O3/c1-23(2)18(13-31-19-4-3-14(10-25)11-27-19)12-28(22(23)30)20-16-5-15-6-17(20)9-24(7-15,8-16)21(26)29/h3-4,11,15-18,20H,5-9,12-13H2,1-2H3,(H2,26,29)/t15?,16?,17?,18?,20-,24-
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| InChIKey |
OHFPORFQCIWVDI-NFAVILPFSA-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