General Information of the Compound
| Compound ID |
CP0459312
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| Compound Name |
7-(4-Butyrylamino-phenyl)-6-{[(2-diethylamino-ethyl)-methyl-amino]-methyl}-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid 1-ethyl-propyl ester
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| Structure |
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| Formula |
C38H50FN5O4
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| Molecular Weight |
659.847
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)OC(CC)CC)c(=O)n2c1CN(C)CCN(CC)CC
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| InChI |
InChI=1S/C38H50FN5O4/c1-7-14-35(45)40-29-19-17-27(18-20-29)31-23-36-43(24-28-15-12-13-16-33(28)39)25-32(38(47)48-30(8-2)9-3)37(46)44(36)34(31)26-41(6)21-22-42(10-4)11-5/h12-13,15-20,23,25,30H,7-11,14,21-22,24,26H2,1-6H3,(H,40,45)
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| InChIKey |
IVISFMVSDRFNIO-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