General Information of the Compound
| Compound ID |
CP0444527
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| Compound Name |
3-pyrazin-2-yl-N-(3-tricyclo[3.3.1.03,7]nonanyl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
O=C(NC12CC3CC1CC(C2)C3)c1nn(c2C3CCC(Cc12)O3)-c1cnccn1
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| InChI |
InChI=1S/C22H25N5O2/c28-21(25-22-9-12-5-13(10-22)7-14(22)6-12)19-16-8-15-1-2-17(29-15)20(16)27(26-19)18-11-23-3-4-24-18/h3-4,11-15,17H,1-2,5-10H2,(H,25,28)
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| InChIKey |
TWDFSAXHSYUATJ-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2