General Information of the Compound
| Compound ID |
CP0011040
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| Compound Name |
N-[1-(4-ethanethioylpiperazin-1-yl)propan-2-yl]-2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxamide
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| Structure |
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| Formula |
C22H29FN4O2S
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| Molecular Weight |
432.565
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| Canonical SMILES |
CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)C(C)=S)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H29FN4O2S/c1-4-5-19-20(29-22(25-19)17-6-8-18(23)9-7-17)21(28)24-15(2)14-26-10-12-27(13-11-26)16(3)30/h6-9,15H,4-5,10-14H2,1-3H3,(H,24,28)
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| InChIKey |
CBJSSVLICOSWBK-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