General Information of the Compound
| Compound ID |
CP0493669
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| Compound Name |
4-[2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]propan-2-yl]benzamide
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| Structure |
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| Formula |
C26H31NO3
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| Molecular Weight |
405.538
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C26H31NO3/c1-15-6-11-20-19(12-15)23-21(28)13-18(14-22(23)30-26(20,4)5)25(2,3)17-9-7-16(8-10-17)24(27)29/h6-10,13-14,19-20,28H,11-12H2,1-5H3,(H2,27,29)/t19-,20-/m1/s1
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| InChIKey |
ZONHXSALQBZLPW-WOJBJXKFSA-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