General Information of the Compound
| Compound ID |
CP0392998
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| Compound Name |
N-(1-adamantylmethyl)-2-chloro-4-(piperidin-1-ylmethyl)benzamide
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| Structure |
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| Formula |
C24H33ClN2O
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| Molecular Weight |
400.994
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| Canonical SMILES |
Clc1cc(CN2CCCCC2)ccc1C(=O)NCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C24H33ClN2O/c25-22-11-17(15-27-6-2-1-3-7-27)4-5-21(22)23(28)26-16-24-12-18-8-19(13-24)10-20(9-18)14-24/h4-5,11,18-20H,1-3,6-10,12-16H2,(H,26,28)
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| InChIKey |
BIHKMLOTBGDVCT-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
Protein ID: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7