General Information of the Compound
| Compound ID |
CP0884349
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| Compound Name |
(R)-4,6-dimethyl-3-((3-methyl-2-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)ethyl)-7,8-dihydro-4H-thieno[3,2-c]azepin-5(6H)-yl)methyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C30H40N4OS
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| Molecular Weight |
504.744
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| Canonical SMILES |
Cc1cc(C)c(CN2CCCc3sc([C@H](C)C4CCN(Cc5ccccn5)CC4)c(C)c3C2)c(=O)[nH]1
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| InChI |
InChI=1S/C30H40N4OS/c1-20-16-21(2)32-30(35)26(20)18-34-13-7-9-28-27(19-34)23(4)29(36-28)22(3)24-10-14-33(15-11-24)17-25-8-5-6-12-31-25/h5-6,8,12,16,22,24H,7,9-11,13-15,17-19H2,1-4H3,(H,32,35)/t22-/m1/s1
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| InChIKey |
XGTFTWVURMVNGN-JOCHJYFZSA-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