General Information of the Compound
| Compound ID |
CP0454337
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| Compound Name |
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(morpholine-4-carbonyl)piperidin-1-yl)ethyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
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| Structure |
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| Formula |
C36H48N4O3S
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| Molecular Weight |
616.872
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCOCC1)C(C)(C)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C36H48N4O3S/c1-23-19-24(2)21-26(20-23)32-29(11-14-38-12-9-25(10-13-38)34(41)39-15-17-43-18-16-39)30-22-31(44-33(30)37-32)36(3,4)35(42)40-27-5-6-28(40)8-7-27/h19-22,25,27-28,37H,5-18H2,1-4H3
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| InChIKey |
NDUYMDVQDJTRFL-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