General Information of the Compound
| Compound ID |
CP0261739
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| Compound Name |
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(4-methoxypiperidine-1-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 |
C38H52N4O3S
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| Molecular Weight |
644.926
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| Canonical SMILES |
COC1CCN(CC1)C(=O)C1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1
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| InChI |
InChI=1S/C38H52N4O3S/c1-24-20-25(2)22-27(21-24)34-31(14-17-40-15-10-26(11-16-40)36(43)41-18-12-30(45-5)13-19-41)32-23-33(46-35(32)39-34)38(3,4)37(44)42-28-6-7-29(42)9-8-28/h20-23,26,28-30,39H,6-19H2,1-5H3
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| InChIKey |
MEWSGCMVRSEDNY-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