General Information of the Compound
| Compound ID |
CP0543687
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| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea
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| Structure |
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| Formula |
C20H23N5O4S
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| Molecular Weight |
429.502
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| Canonical SMILES |
CN1CCn2ncc(c2C1=O)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C20H23N5O4S/c1-24-8-9-25-18(19(24)26)16(11-21-25)30(28,29)23-20(27)22-17-14-6-2-4-12(14)10-13-5-3-7-15(13)17/h10-11H,2-9H2,1H3,(H2,22,23,27)
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| InChIKey |
KWTMFTQOSIRXHO-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