General Information of the Compound
| Compound ID |
CP0578625
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| Compound Name |
[(2R,4S)-4-phenylpyrrolidin-2-yl]-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H24N4OS
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| Molecular Weight |
392.528
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| Canonical SMILES |
O=C([C@H]1C[C@H](CN1)c1ccccc1)N1CCN(CC1)c1nccc2ccsc12
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| InChI |
InChI=1S/C22H24N4OS/c27-22(19-14-18(15-24-19)16-4-2-1-3-5-16)26-11-9-25(10-12-26)21-20-17(6-8-23-21)7-13-28-20/h1-8,13,18-19,24H,9-12,14-15H2/t18-,19-/m1/s1
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| InChIKey |
XCMGRNQJJFZONV-RTBURBONSA-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