General Information of the Compound
| Compound ID |
CP0102627
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| Compound Name |
4-{2-methyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionylamino}-adamantane-1-carboxylic acid
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| Formula |
C25H33F3N4O3
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| Molecular Weight |
494.558
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| Canonical SMILES |
CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C2C[C@H]3CC1C[C@](C3)(C2)C(O)=O
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| InChI |
InChI=1S/C25H33F3N4O3/c1-23(2,32-7-5-31(6-8-32)19-4-3-18(14-29-19)25(26,27)28)21(33)30-20-16-9-15-10-17(20)13-24(11-15,12-16)22(34)35/h3-4,14-17,20H,5-13H2,1-2H3,(H,30,33)(H,34,35)/t15-,16?,17?,20-,24-
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| InChIKey |
RVIKUVQZTJUNNT-HGYLWUCXSA-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