General Information of the Compound
| Compound ID |
CP0533340
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| Compound Name |
(4-isopropylpiperazin-1-yl)(6-(4-(methylthio)phenoxy)pyridin-3-yl)methanone
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| Structure |
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| Formula |
C20H25N3O2S
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| Molecular Weight |
371.506
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| Canonical SMILES |
CSc1ccc(Oc2ccc(cn2)C(=O)N2CCN(CC2)C(C)C)cc1
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| InChI |
InChI=1S/C20H25N3O2S/c1-15(2)22-10-12-23(13-11-22)20(24)16-4-9-19(21-14-16)25-17-5-7-18(26-3)8-6-17/h4-9,14-15H,10-13H2,1-3H3
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| InChIKey |
LTHROSCZBPRQEK-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