General Information of the Compound
| Compound ID |
CP0389749
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| Compound Name |
((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexyl)(4-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenylcyclohexyl)methanone
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| Structure |
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| Formula |
C33H43N3O2S
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| Molecular Weight |
545.793
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C33H43N3O2S/c1-22(24-11-14-28(38-5)15-12-24)34-27-13-16-29(32(3,4)21-27)30(37)25-17-19-33(20-18-25,26-9-7-6-8-10-26)31-36-35-23(2)39-31/h6-12,14-15,22,25,27,29,34H,13,16-21H2,1-5H3/t22-,25?,27-,29+,33?/m1/s1
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| InChIKey |
YKBYRDMBJORZED-JIBABVKTSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2