General Information of the Compound
| Compound ID |
CP0526895
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| Compound Name |
(2-pyridin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1-quinolin-5-ylsulfonylazetidin-3-yl)methanone
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| Structure |
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| Formula |
C24H25N5O3S
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| Molecular Weight |
463.563
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| Canonical SMILES |
O=C(C1CN(C1)S(=O)(=O)c1cccc2ncccc12)N1CC2CN(CC2C1)c1ccncc1
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| InChI |
InChI=1S/C24H25N5O3S/c30-24(28-13-17-11-27(12-18(17)14-28)20-6-9-25-10-7-20)19-15-29(16-19)33(31,32)23-5-1-4-22-21(23)3-2-8-26-22/h1-10,17-19H,11-16H2
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| InChIKey |
TWSLIEXKXHDZJX-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