General Information of the Compound
| Compound ID |
CP0550438
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| Compound Name |
1-[[(6S)-6-(dimethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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| Structure |
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| Formula |
C21H27N5O4S
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| Molecular Weight |
445.545
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| Canonical SMILES |
CN(C)[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C21H27N5O4S/c1-25(2)15-11-26-20(30-12-15)18(10-22-26)31(28,29)24-21(27)23-19-16-7-3-5-13(16)9-14-6-4-8-17(14)19/h9-10,15H,3-8,11-12H2,1-2H3,(H2,23,24,27)/t15-/m0/s1
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| InChIKey |
HWZVZTLJBBDWBR-HNNXBMFYSA-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