General Information of the Compound
| Compound ID |
CP0009822
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| Compound Name |
ethyl 4-[(2R)-2-[[2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carbonyl]amino]propyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H31FN4O4
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| Molecular Weight |
446.523
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| Canonical SMILES |
CCCc1nc(oc1C(=O)N[C@H](C)CN1CCN(CC1)C(=O)OCC)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H31FN4O4/c1-4-6-19-20(32-22(26-19)17-7-9-18(24)10-8-17)21(29)25-16(3)15-27-11-13-28(14-12-27)23(30)31-5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H,25,29)/t16-/m1/s1
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| InChIKey |
SAIFICJIWMDAQI-MRXNPFEDSA-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