General Information of the Compound
| Compound ID |
CP0868666
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| Compound Name |
trans-4',9'-Dihydro-N,N,6'-trimethyl-4-phenyl-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine Hemicitrate
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| Formula |
C31H38N2O8
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| Molecular Weight |
566.651
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| Canonical SMILES |
Cc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
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| InChI |
InChI=1S/C25H30N2O.C6H8O7/c1-18-9-10-22-21(17-18)20-11-16-28-25(23(20)26-22)14-12-24(13-15-25,27(2)3)19-7-5-4-6-8-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17,26H,11-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t24-,25-;
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| InChIKey |
MCVNRHSPNBARTO-UAYJJFOUSA-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