General Information of the Compound
| Compound ID |
CP0261741
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| Compound Name |
1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-(5-(3,5-dimethylphenyl)-4-(2-(4-(3-methoxypyrrolidine-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 |
C37H50N4O3S
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| Molecular Weight |
630.899
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| Canonical SMILES |
COC1CCN(C1)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/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-16-39-14-10-25(11-15-39)35(42)40-17-12-29(22-40)44-5)31-21-32(45-34(31)38-33)37(3,4)36(43)41-27-6-7-28(41)9-8-27/h18-21,25,27-29,38H,6-17,22H2,1-5H3
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| InChIKey |
XNWCMYDECGZYSI-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