General Information of the Compound
| Compound ID |
CP0342772
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| Compound Name |
(4-cyclobutylpiperazin-1-yl)(3-(piperidin-1-ylmethyl)benzo[b]thiophen-5-yl)methanone
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| Structure |
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| Formula |
C23H31N3OS
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| Molecular Weight |
397.588
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| Canonical SMILES |
O=C(N1CCN(CC1)C1CCC1)c1ccc2scc(CN3CCCCC3)c2c1
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| InChI |
InChI=1S/C23H31N3OS/c27-23(26-13-11-25(12-14-26)20-5-4-6-20)18-7-8-22-21(15-18)19(17-28-22)16-24-9-2-1-3-10-24/h7-8,15,17,20H,1-6,9-14,16H2
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| InChIKey |
WCSJFPHTFPWKRA-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