General Information of the Compound
| Compound ID |
CP0012307
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| Compound Name |
2-(4-fluorophenyl)-4-propyl-N-[(2S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
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| Structure |
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| Formula |
C24H29FN6O2
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| Molecular Weight |
452.534
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| Canonical SMILES |
CCCc1nc(oc1C(=O)N[C@@H](C)CN1CCN(CC1)c1ncccn1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H29FN6O2/c1-3-5-20-21(33-23(29-20)18-6-8-19(25)9-7-18)22(32)28-17(2)16-30-12-14-31(15-13-30)24-26-10-4-11-27-24/h4,6-11,17H,3,5,12-16H2,1-2H3,(H,28,32)/t17-/m0/s1
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| InChIKey |
IZKXPLXSSGNVGJ-KRWDZBQOSA-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