General Information of the Compound
| Compound ID |
CP0849908
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| Compound Name |
(S)-1-{[1-(cyclohexyl)methyl-7-methoxy-1Hindol-3-yl]carbonyl}-3,4-dimethylpiperazine hydrochloride salt
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| Structure |
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| Formula |
C23H34ClN3O2
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| Molecular Weight |
419.997
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| Canonical SMILES |
COc1cccc2c(C(=O)N3CCN(C)[C@@H](C)C3)cn(CC3CCCCC3)c12.Cl
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| InChI |
InChI=1S/C23H33N3O2.ClH/c1-17-14-25(13-12-24(17)2)23(27)20-16-26(15-18-8-5-4-6-9-18)22-19(20)10-7-11-21(22)28-3;/h7,10-11,16-18H,4-6,8-9,12-15H2,1-3H3;1H/t17-;/m0./s1
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| InChIKey |
HKDNZWSVLVVYEP-LMOVPXPDSA-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