General Information of the Compound
| Compound ID |
CP0460342
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| Compound Name |
3-(4-tert-Butyl-4,5-dihydro-oxazol-2-yl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-7-(4-nitro-phenyl)-1H-pyrrolo[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C36H35FN6O4
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| Molecular Weight |
634.712
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| Canonical SMILES |
CN(CCc1ccccn1)Cc1c(cc2n(Cc3ccccc3F)cc(-c3nc(co3)C(C)(C)C)c(=O)n12)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C36H35FN6O4/c1-36(2,3)32-23-47-34(39-32)29-21-41(20-25-9-5-6-11-30(25)37)33-19-28(24-12-14-27(15-13-24)43(45)46)31(42(33)35(29)44)22-40(4)18-16-26-10-7-8-17-38-26/h5-15,17,19,21,23H,16,18,20,22H2,1-4H3
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| InChIKey |
PUMDQJFTFGAXSD-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