General Information of the Compound
| Compound ID |
CP0924831
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| Compound Name |
N-adamantan-1-ylmethyl-2-chloro-6-(piperidin-4-yloxy)-benzamide
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| Structure |
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| Formula |
C23H31ClN2O2
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| Molecular Weight |
402.966
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| Canonical SMILES |
O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)cccc1OC1CCNCC1
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| InChI |
InChI=1S/C23H31ClN2O2/c24-19-2-1-3-20(28-18-4-6-25-7-5-18)21(19)22(27)26-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-3,15-18,25H,4-14H2,(H,26,27)
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| InChIKey |
LGGAFCMETNCFKJ-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