General Information of the Compound
| Compound ID |
CP0921241
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| Compound Name |
trans-4',9'-Dihydro-6'-methoxy-N,N-dimethyl-4-phenyl-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine Hydrochloride
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| Formula |
C25H31ClN2O2
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| Molecular Weight |
426.988
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| Canonical SMILES |
COc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1.Cl
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| InChI |
InChI=1S/C25H30N2O2.ClH/c1-27(2)24(18-7-5-4-6-8-18)12-14-25(15-13-24)23-20(11-16-29-25)21-17-19(28-3)9-10-22(21)26-23;/h4-10,17,26H,11-16H2,1-3H3;1H/t24-,25-;
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| InChIKey |
FDFLFJKAMLZRLE-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