General Information of the Compound
| Compound ID |
CP0389444
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| Compound Name |
CHEMBL3416121
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| Formula |
C27H37NO5
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| Molecular Weight |
455.595
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| Canonical SMILES |
COC(=O)N[C@]12CC3CC(C1)C[C@](C3)(C2)c1cc(O)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C27H37NO5/c1-25(2)20-5-4-18(29)9-19(20)23-21(30)7-17(8-22(23)33-25)26-10-15-6-16(11-26)13-27(12-15,14-26)28-24(31)32-3/h7-8,15-16,18-20,29-30H,4-6,9-14H2,1-3H3,(H,28,31)/t15?,16?,18-,19-,20-,26-,27-/m1/s1
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| InChIKey |
RMRPPULJEONUHI-KCRMERNJSA-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