General Information of the Compound
| Compound ID |
CP0315341
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| Compound Name |
N-[[1-[2-[2-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]piperidin-4-yl]methyl]morpholine-4-carboxamide
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| Structure |
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| Formula |
C37H51N5O3S
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| Molecular Weight |
645.914
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CNC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C37H51N5O3S/c1-24-19-25(2)21-27(20-24)33-30(11-14-40-12-9-26(10-13-40)23-38-36(44)41-15-17-45-18-16-41)31-22-32(46-34(31)39-33)37(3,4)35(43)42-28-5-6-29(42)8-7-28/h19-22,26,28-29,39H,5-18,23H2,1-4H3,(H,38,44)
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| InChIKey |
NFAQAKZFRDPVRK-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