General Information of the Compound
| Compound ID |
CP0886060
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| Compound Name |
4-[4-(3-Benzo[b]thiophen-3-yl-3-hydroxypropyl)piperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C22H23N3OS
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| Molecular Weight |
377.513
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| Canonical SMILES |
N#Cc1ccc(N2CCN(CCC(O)c3csc4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C22H23N3OS/c23-15-17-5-7-18(8-6-17)25-13-11-24(12-14-25)10-9-21(26)20-16-27-22-4-2-1-3-19(20)22/h1-8,16,21,26H,9-14H2
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| InChIKey |
IANRROVFSPTZDU-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