General Information of the Compound
| Compound ID |
CP0460351
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| Compound Name |
3-(4,4-Dimethyl-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 |
C34H33FN6O4
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| Molecular Weight |
608.674
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| Canonical SMILES |
CN(CCc1ccccn1)Cc1c(cc2n(Cc3ccccc3F)cc(C3=NC(C)(C)CO3)c(=O)n12)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C34H33FN6O4/c1-34(2)22-45-32(37-34)28-20-39(19-24-8-4-5-10-29(24)35)31-18-27(23-11-13-26(14-12-23)41(43)44)30(40(31)33(28)42)21-38(3)17-15-25-9-6-7-16-36-25/h4-14,16,18,20H,15,17,19,21-22H2,1-3H3
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| InChIKey |
UZNLYQNSOXDZTB-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