General Information of the Compound
| Compound ID |
CP0873063
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| Compound Name |
N-adamantan-1-ylmethyl-2-chloro-3-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 |
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(CN2CCCCC2)c1Cl
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| InChI |
InChI=1S/C24H33ClN2O/c25-22-20(15-27-7-2-1-3-8-27)5-4-6-21(22)23(28)26-16-24-12-17-9-18(13-24)11-19(10-17)14-24/h4-6,17-19H,1-3,7-16H2,(H,26,28)
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| InChIKey |
NFYBLIIVAQYCEO-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