General Information of the Compound
| Compound ID |
CP0206408
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| Compound Name |
4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-acetylamino}-adamantane-1-carboxylic acid
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| Formula |
C26H33F3N4O3
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| Molecular Weight |
506.569
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| Canonical SMILES |
OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C26H33F3N4O3/c27-26(28,29)19-3-4-20(30-14-19)32-5-7-33(8-6-32)22(16-1-2-16)23(34)31-21-17-9-15-10-18(21)13-25(11-15,12-17)24(35)36/h3-4,14-18,21-22H,1-2,5-13H2,(H,31,34)(H,35,36)/t15?,17?,18?,21-,22?,25-
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| InChIKey |
KRSITBCUJXKYET-NNJMJYJPSA-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