General Information of the Compound
| Compound ID |
CP0148547
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| Compound Name |
1-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C28H29N5O2S
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| Molecular Weight |
499.64
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| Canonical SMILES |
O=C(C1CC1)N1CCN(CC1)C(=O)c1cnc2ccsc2c1N1CCC(CC1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C28H29N5O2S/c29-19-28(21-4-2-1-3-5-21)9-11-31(12-10-28)24-22(18-30-23-8-17-36-25(23)24)27(35)33-15-13-32(14-16-33)26(34)20-6-7-20/h1-5,8,17-18,20H,6-7,9-16H2
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| InChIKey |
DWGGPMABGPYZCH-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