General Information of the Compound
| Compound ID |
CP0444528
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| Compound Name |
3-(2,4-difluorophenyl)-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 |
C24H25F2N3O2
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| Molecular Weight |
425.479
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| Canonical SMILES |
Fc1ccc(c(F)c1)-n1nc(C(=O)NC23CC4CC2CC(C3)C4)c2CC3CCC(O3)c12
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| InChI |
InChI=1S/C24H25F2N3O2/c25-15-1-3-19(18(26)8-15)29-22-17(9-16-2-4-20(22)31-16)21(28-29)23(30)27-24-10-12-5-13(11-24)7-14(24)6-12/h1,3,8,12-14,16,20H,2,4-7,9-11H2,(H,27,30)
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| InChIKey |
NZCAEXQYKDXJFI-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