General Information of the Compound
| Compound ID |
CP0108306
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| Compound Name |
2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
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| Structure |
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| Formula |
C27H28N4OS
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| Molecular Weight |
456.615
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| Canonical SMILES |
NC(=O)c1cnc(N(CCc2ccccc2)[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4OS/c28-26(32)23-18-30-27(22-16-24(33-25(22)23)20-10-5-2-6-11-20)31(21-12-7-14-29-17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,16,18,21,29H,7,12-15,17H2,(H2,28,32)/t21-/m0/s1
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| InChIKey |
NEWBEAKFVLKLNW-NRFANRHFSA-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