General Information of the Compound
| Compound ID |
CP0233799
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| Compound Name |
(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazin-1-yl)(pyridin-3-yl)methanone
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| Structure |
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| Formula |
C23H19N7O4S
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| Molecular Weight |
489.517
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| Canonical SMILES |
O=C(N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12)c1cccnc1
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| InChI |
InChI=1S/C23H19N7O4S/c31-23(16-3-2-7-24-14-16)29-11-9-28(10-12-29)17-13-20-18(25-15-17)6-8-30(20)35(32,33)21-5-1-4-19-22(21)27-34-26-19/h1-8,13-15H,9-12H2
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| InChIKey |
WRYJHOBTINUUEH-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