General Information of the Compound
| Compound ID |
CP0521209
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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 cyclopentylamide
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| Structure |
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| Formula |
C39H43FN6O3
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| Molecular Weight |
662.81
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| Canonical SMILES |
CCCC(=O)Nc1ccc(cc1)-c1cc2n(Cc3ccccc3F)cc(C(=O)NC3CCCC3)c(=O)n2c1CN(C)CCc1ccccn1
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| InChI |
InChI=1S/C39H43FN6O3/c1-3-10-36(47)42-31-18-16-27(17-19-31)32-23-37-45(24-28-11-4-7-15-34(28)40)25-33(38(48)43-30-13-5-6-14-30)39(49)46(37)35(32)26-44(2)22-20-29-12-8-9-21-41-29/h4,7-9,11-12,15-19,21,23,25,30H,3,5-6,10,13-14,20,22,24,26H2,1-2H3,(H,42,47)(H,43,48)
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| InChIKey |
DCLRIOIGKNCEAU-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