General Information of the Compound
| Compound ID |
CP0573261
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| Compound Name |
N-[[4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
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| Structure |
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| Formula |
C28H35F3N4O2
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| Molecular Weight |
516.608
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| Canonical SMILES |
CCC(=O)N(CC1(CCOCC1)N1CC2CN(Cc3ccccc3)CC2C1)c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C28H35F3N4O2/c1-2-26(36)35(25-10-6-9-24(32-25)28(29,30)31)20-27(11-13-37-14-12-27)34-18-22-16-33(17-23(22)19-34)15-21-7-4-3-5-8-21/h3-10,22-23H,2,11-20H2,1H3
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| InChIKey |
ICOVWBMVDQFOOY-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: PT00897, Potassium voltage-gated channel subfamily H member 2