General Information of the Compound
| Compound ID |
CP0958716
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| Compound Name |
(R)-3-((2-(1-(1-(cyclohexylmethyl)piperidin-4-yl)ethyl)-3-methyl-7,8-dihydro-4H-thieno[3,2-c]azepin-5(6H)-yl)methyl)-4,6-dimethylpyridin-2(1H)-one
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| Structure |
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| Formula |
C31H47N3OS
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| Molecular Weight |
509.804
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| Canonical SMILES |
Cc1cc(C)c(CN2CCCc3sc([C@H](C)C4CCN(CC5CCCCC5)CC4)c(C)c3C2)c(=O)[nH]1
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| InChI |
InChI=1S/C31H47N3OS/c1-21-17-22(2)32-31(35)27(21)19-34-14-8-11-29-28(20-34)24(4)30(36-29)23(3)26-12-15-33(16-13-26)18-25-9-6-5-7-10-25/h17,23,25-26H,5-16,18-20H2,1-4H3,(H,32,35)/t23-/m1/s1
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| InChIKey |
IXWPTXJYKLVSEF-HSZRJFAPSA-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