General Information of the Compound
| Compound ID |
CP0559603
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| Compound Name |
2-(cyclopentylmethyl)-N,N-dimethyl-8-thiophen-2-yl-2-azaspiro[4.5]decan-8-amine
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| Structure |
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| Formula |
C21H34N2S
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| Molecular Weight |
346.584
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| Canonical SMILES |
CN(C)C1(CCC2(CCN(CC3CCCC3)C2)CC1)c1cccs1
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| InChI |
InChI=1S/C21H34N2S/c1-22(2)21(19-8-5-15-24-19)11-9-20(10-12-21)13-14-23(17-20)16-18-6-3-4-7-18/h5,8,15,18H,3-4,6-7,9-14,16-17H2,1-2H3
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| InChIKey |
GTWAXCUGFVQLLX-UHFFFAOYSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor