General Information of the Compound
| Compound ID |
CP0155812
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| Compound Name |
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(4-(2-(4-(3-(4-acetylpiperazin-1-yl)-2-hydroxypropyl)piperazin-1-yl)ethyl)-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-2-yl)-2-methylpropan-1-one
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| Structure |
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| Formula |
C39H56N6O3S
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| Molecular Weight |
688.983
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| Canonical SMILES |
CC(=O)N1CCN(CC(O)CN2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N3C4CCC3CC4)-c3cc(C)cc(C)c3)CC2)CC1
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| InChI |
InChI=1S/C39H56N6O3S/c1-26-20-27(2)22-29(21-26)36-33(34-23-35(49-37(34)40-36)39(4,5)38(48)45-30-6-7-31(45)9-8-30)10-11-41-12-14-42(15-13-41)24-32(47)25-43-16-18-44(19-17-43)28(3)46/h20-23,30-32,40,47H,6-19,24-25H2,1-5H3
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| InChIKey |
WDDRUCUWAOFJED-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