General Information of the Compound
| Compound ID |
CP0012308
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| Compound Name |
2-(4-fluorophenyl)-4-propyl-N-[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,3-oxazole-5-carboxamide
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| Structure |
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| Formula |
C23H28FN5O2S
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| Molecular Weight |
457.575
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| Canonical SMILES |
CCCc1nc(oc1C(=O)NC(C)CN1CCN(CC1)c1nccs1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H28FN5O2S/c1-3-4-19-20(31-22(27-19)17-5-7-18(24)8-6-17)21(30)26-16(2)15-28-10-12-29(13-11-28)23-25-9-14-32-23/h5-9,14,16H,3-4,10-13,15H2,1-2H3,(H,26,30)
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| InChIKey |
KGHRCTVPNFRKBB-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