General Information of the Compound
| Compound ID |
CP0004300
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| Compound Name |
2-(4-fluorophenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-4-propyl-1,3-oxazole-5-carboxamide
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| Structure |
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| Formula |
C21H29FN4O4S
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| Molecular Weight |
452.552
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| Canonical SMILES |
CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H29FN4O4S/c1-4-5-18-19(30-21(24-18)16-6-8-17(22)9-7-16)20(27)23-15(2)14-25-10-12-26(13-11-25)31(3,28)29/h6-9,15H,4-5,10-14H2,1-3H3,(H,23,27)/t15-/m1/s1
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| InChIKey |
CGVOTXJTJPDUMN-OAHLLOKOSA-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