General Information of the Compound
| Compound ID |
CP0148546
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| Compound Name |
1-[4-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]phenyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C26H24N4O2S
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| Molecular Weight |
456.571
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| Canonical SMILES |
O=C(C1CC1)N1CCN(CC1)C(=O)c1cnc2ccsc2c1-c1ccc(cc1)C1(CC1)C#N
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| InChI |
InChI=1S/C26H24N4O2S/c27-16-26(8-9-26)19-5-3-17(4-6-19)22-20(15-28-21-7-14-33-23(21)22)25(32)30-12-10-29(11-13-30)24(31)18-1-2-18/h3-7,14-15,18H,1-2,8-13H2
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| InChIKey |
QHKKUEBSRRDZMN-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