General Information of the Compound
| Compound ID |
CP0287559
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| Compound Name |
4-(6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
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| Structure |
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| Formula |
C23H21N7O3S
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| Molecular Weight |
475.534
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cn1)-c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12
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| InChI |
InChI=1S/C23H21N7O3S/c1-28-9-11-29(12-10-28)22-6-5-16(14-25-22)17-13-20-18(24-15-17)7-8-30(20)34(31,32)21-4-2-3-19-23(21)27-33-26-19/h2-8,13-15H,9-12H2,1H3
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| InChIKey |
CRXFYGMLTVAQJD-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