General Information of the Compound
| Compound ID |
CP0910483
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| Compound Name |
4-[3-(3-Benzo[b]thiophen-3-yl-3-oxopropylamino)-(S)-pyrrolidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C22H21N3OS
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| Molecular Weight |
375.497
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| Canonical SMILES |
N#Cc1ccc(N2CC[C@H](NCCC(=O)c3csc4ccccc34)C2)cc1
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| InChI |
InChI=1S/C22H21N3OS/c23-13-16-5-7-18(8-6-16)25-12-10-17(14-25)24-11-9-21(26)20-15-27-22-4-2-1-3-19(20)22/h1-8,15,17,24H,9-12,14H2/t17-/m0/s1
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| InChIKey |
QHGWJMMASXEGKY-KRWDZBQOSA-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