General Information of the Compound
| Compound ID |
CP0540414
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| Compound Name |
2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]-2-methyl-N-pentylpropanamide
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| Structure |
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| Formula |
C25H37NO3
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| Molecular Weight |
399.575
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| Canonical SMILES |
CCCCCNC(=O)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C25H37NO3/c1-7-8-9-12-26-23(28)24(3,4)17-14-20(27)22-18-13-16(2)10-11-19(18)25(5,6)29-21(22)15-17/h10,14-15,18-19,27H,7-9,11-13H2,1-6H3,(H,26,28)/t18-,19-/m1/s1
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| InChIKey |
ZJYOWSQATLFEBV-RTBURBONSA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2