General Information of the Compound
| Compound ID |
CP0570732
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| Compound Name |
1-[1-(3-chlorobenzoyl)-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl]-N-(4-fluorophenyl)cyclobutane-1-carboxamide
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| Structure |
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| Formula |
C25H21ClFN3O2
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| Molecular Weight |
449.913
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| Canonical SMILES |
Fc1ccc(NC(=O)C2(CCC2)c2ccc3N(CCc3n2)C(=O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C25H21ClFN3O2/c26-17-4-1-3-16(15-17)23(31)30-14-11-20-21(30)9-10-22(29-20)25(12-2-13-25)24(32)28-19-7-5-18(27)6-8-19/h1,3-10,15H,2,11-14H2,(H,28,32)
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| InChIKey |
ZAYGWGKRPKRVAE-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