General Information of the Compound
| Compound ID |
CP0411671
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| Compound Name |
CHEMBL3416122
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| Formula |
C26H33NO3
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| Molecular Weight |
407.554
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)[C@@]12CC3CC(C[C@](C3)(C1)C#N)C2
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| InChI |
InChI=1S/C26H33NO3/c1-24(2)20-4-3-18(28)8-19(20)23-21(29)6-17(7-22(23)30-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-27/h6-7,15-16,18-20,28-29H,3-5,8-13H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1
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| InChIKey |
GJLVVEJNRSZPHK-CVTFBFMWSA-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2