General Information of the Compound
| Compound ID |
CP0155808
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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-hydroxypiperidine-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 |
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCC(CC1)C(=O)N1CCCC(O)C1)C(C)(C)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C37H50N4O3S/c1-23-18-24(2)20-26(19-23)33-30(13-17-39-15-11-25(12-16-39)35(43)40-14-5-6-29(42)22-40)31-21-32(45-34(31)38-33)37(3,4)36(44)41-27-7-8-28(41)10-9-27/h18-21,25,27-29,38,42H,5-17,22H2,1-4H3
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| InChIKey |
PTNVYXQJHUWHKM-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