General Information of the Compound
| Compound ID |
CP0148554
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| Compound Name |
1-[5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[2,3-b]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C23H27N5O2S
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| Molecular Weight |
437.569
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2sccc12)C(=O)N1CCN(CC1)C(=O)C1CC1)C#N
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| InChI |
InChI=1S/C23H27N5O2S/c1-23(15-24)5-7-26(8-6-23)19-17-4-13-31-20(17)25-14-18(19)22(30)28-11-9-27(10-12-28)21(29)16-2-3-16/h4,13-14,16H,2-3,5-12H2,1H3
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| InChIKey |
ASZVVCYNJFVBQL-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