General Information of the Compound
| Compound ID |
CP0410458
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| Compound Name |
(2R,4R)-9-(oxan-4-ylmethyl)-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
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| Structure |
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| Formula |
C23H29N3O2
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| Molecular Weight |
379.504
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| Canonical SMILES |
CC(C)(NC(=O)c1nn(CC2CCOCC2)c2[C@@H]3C[C@@H]3Cc12)c1ccccc1
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| InChI |
InChI=1S/C23H29N3O2/c1-23(2,17-6-4-3-5-7-17)24-22(27)20-19-13-16-12-18(16)21(19)26(25-20)14-15-8-10-28-11-9-15/h3-7,15-16,18H,8-14H2,1-2H3,(H,24,27)/t16-,18-/m1/s1
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| InChIKey |
LFSHTMJLNHYWDS-SJLPKXTDSA-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