General Information of the Compound
| Compound ID |
CP0206286
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| Compound Name |
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopentanecarbonyl}-amino)-adamantane-1-carboxylic acid
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| Formula |
C27H35F3N4O3
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| Molecular Weight |
520.596
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| Canonical SMILES |
OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2
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| InChI |
InChI=1S/C27H35F3N4O3/c28-27(29,30)20-3-4-21(31-16-20)33-7-9-34(10-8-33)26(5-1-2-6-26)23(35)32-22-18-11-17-12-19(22)15-25(13-17,14-18)24(36)37/h3-4,16-19,22H,1-2,5-15H2,(H,32,35)(H,36,37)/t17?,18?,19?,22-,25-
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| InChIKey |
SCKUCAYPELQYOB-TZKYZTEESA-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