General Information of the Compound
| Compound ID |
CP0403012
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| Compound Name |
6-[(Benzyl-methyl-amino)-methyl]-7-(4-butyrylamino-phenyl)-1-(2-fluoro-benzyl)-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid (3-phenyl-propyl)-amide
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| Structure |
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| Formula |
C43H44FN5O3
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| Molecular Weight |
697.855
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)Cc1ccccc1
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| InChI |
InChI=1S/C43H44FN5O3/c1-3-13-40(50)46-35-23-21-33(22-24-35)36-26-41-48(28-34-19-10-11-20-38(34)44)29-37(42(51)45-25-12-18-31-14-6-4-7-15-31)43(52)49(41)39(36)30-47(2)27-32-16-8-5-9-17-32/h4-11,14-17,19-24,26,29H,3,12-13,18,25,27-28,30H2,1-2H3,(H,45,51)(H,46,50)
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| InChIKey |
KEJQQOSNDBRTMX-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