General Information of the Compound
| Compound ID |
CP0352401
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| Compound Name |
N-(1-hydroxy-2-adamantyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C22H29F3N4O2
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| Molecular Weight |
438.494
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| Canonical SMILES |
OC12CC3CC(CC(C3)C1NC(=O)CN1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2
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| InChI |
InChI=1S/C22H29F3N4O2/c23-22(24,25)17-1-2-18(26-12-17)29-5-3-28(4-6-29)13-19(30)27-20-16-8-14-7-15(9-16)11-21(20,31)10-14/h1-2,12,14-16,20,31H,3-11,13H2,(H,27,30)
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| InChIKey |
HDLZHQFBHVJHLK-UHFFFAOYSA-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