General Information of the Compound
| Compound ID |
CP0162641
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| Compound Name |
4-[4-(4-imidazol-1-yl-phenoxymethyl)-3,3-dimethyl-2-oxo-pyrrolidin-1-yl]-adamantane-1-carboxylic acid amide
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
CC1(C)C(COc2ccc(cc2)-n2ccnc2)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)C1=O
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| InChI |
InChI=1S/C27H34N4O3/c1-26(2)20(15-34-22-5-3-21(4-6-22)30-8-7-29-16-30)14-31(25(26)33)23-18-9-17-10-19(23)13-27(11-17,12-18)24(28)32/h3-8,16-20,23H,9-15H2,1-2H3,(H2,28,32)/t17?,18?,19?,20?,23-,27-
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| InChIKey |
AVSHDHHSWZFVQY-JTBBFVBSSA-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