General Information of the Compound
| Compound ID |
CP0469700
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| Compound Name |
2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
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| Structure |
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| Formula |
C25H31FN6O2
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| Molecular Weight |
466.561
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| Canonical SMILES |
CCCc1nc(oc1C(=O)NC(C)CN1CCCN(CC1)c1ncccn1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H31FN6O2/c1-3-6-21-22(34-24(30-21)19-7-9-20(26)10-8-19)23(33)29-18(2)17-31-13-5-14-32(16-15-31)25-27-11-4-12-28-25/h4,7-12,18H,3,5-6,13-17H2,1-2H3,(H,29,33)
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| InChIKey |
HCLCPEQNORBHIY-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