General Information of the Compound
| Compound ID |
CP0036385
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| Compound Name |
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclobutanecarbonyl}-amino)-adamantane-1-carboxylic acid amide
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| Formula |
C26H34F3N5O2
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| Molecular Weight |
505.585
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C26H34F3N5O2/c27-26(28,29)19-2-3-20(31-15-19)33-6-8-34(9-7-33)25(4-1-5-25)23(36)32-21-17-10-16-11-18(21)14-24(12-16,13-17)22(30)35/h2-3,15-18,21H,1,4-14H2,(H2,30,35)(H,32,36)/t16?,17?,18?,21-,24-
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| InChIKey |
YBLQVVARSOXHTM-DRQKDHDASA-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