General Information of the Compound
| Compound ID |
CP0858714
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| Compound Name |
(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)((3S,5R)-3,4,5-trimethylpiperazin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C24H36ClN3O2
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| Molecular Weight |
434.024
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| Canonical SMILES |
COc1cccc2c(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)cn(CC3CCCCC3)c12.Cl
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| InChI |
InChI=1S/C24H35N3O2.ClH/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4;/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3;1H/t17-,18+;
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| InChIKey |
YTYAKTGPSFZMRK-GNXQHMNLSA-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