General Information of the Compound
| Compound ID |
CP0547777
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| Compound Name |
(1S,8R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
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| Formula |
C19H25N5O3
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| Molecular Weight |
371.441
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| Canonical SMILES |
CC(C)(C)[C@@H](CO)NC(=O)c1nn(c2[C@@H]3CC[C@H](Cc12)O3)-c1cnccn1
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| InChI |
InChI=1S/C19H25N5O3/c1-19(2,3)14(10-25)22-18(26)16-12-8-11-4-5-13(27-11)17(12)24(23-16)15-9-20-6-7-21-15/h6-7,9,11,13-14,25H,4-5,8,10H2,1-3H3,(H,22,26)/t11-,13+,14-/m1/s1
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| InChIKey |
ZEIZSOHGPLLUEV-KWCYVHTRSA-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