General Information of the Compound
| Compound ID |
CP0489291
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| Compound Name |
N-(1-adamantylmethyl)-2-chloro-5-(piperazin-1-ylmethyl)benzamide
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| Structure |
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| Formula |
C23H32ClN3O
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| Molecular Weight |
401.982
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| Canonical SMILES |
Clc1ccc(CN2CCNCC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C23H32ClN3O/c24-21-2-1-16(14-27-5-3-25-4-6-27)10-20(21)22(28)26-15-23-11-17-7-18(12-23)9-19(8-17)13-23/h1-2,10,17-19,25H,3-9,11-15H2,(H,26,28)
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| InChIKey |
VGXCGVFXXLXIIY-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