General Information of the Compound
| Compound ID |
CP0511176
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| Compound Name |
7-(4-Butyrylamino-phenyl)-1-(2-fluoro-benzyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-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 |
C43H45FN6O3
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| Molecular Weight |
712.87
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NCCCc3ccccc3)c(=O)n2c1CN(C)CCc1ccccn1
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| InChI |
InChI=1S/C43H45FN6O3/c1-3-12-40(51)47-35-21-19-32(20-22-35)36-27-41-49(28-33-16-7-8-18-38(33)44)29-37(42(52)46-25-11-15-31-13-5-4-6-14-31)43(53)50(41)39(36)30-48(2)26-23-34-17-9-10-24-45-34/h4-10,13-14,16-22,24,27,29H,3,11-12,15,23,25-26,28,30H2,1-2H3,(H,46,52)(H,47,51)
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| InChIKey |
VCLRZYGHUPYVKQ-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