General Information of the Compound
| Compound ID |
CP0206409
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| Compound Name |
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopropanecarbonyl}-amino)-adamantane-1-carboxylic acid amide
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| Formula |
C25H32F3N5O2
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| Molecular Weight |
491.558
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| Canonical SMILES |
NC(=O)[C@@]12C[C@H]3CC(C1)[C@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C25H32F3N5O2/c26-25(27,28)18-1-2-19(30-14-18)32-5-7-33(8-6-32)24(3-4-24)22(35)31-20-16-9-15-10-17(20)13-23(11-15,12-16)21(29)34/h1-2,14-17,20H,3-13H2,(H2,29,34)(H,31,35)/t15-,16?,17?,20-,23-
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| InChIKey |
TZQSUCROPTURHG-LYGRSXDVSA-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