General Information of the Compound
| Compound ID |
CP0578937
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| Compound Name |
tert-butyl N-[1-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]azetidin-3-yl]carbamate
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| Structure |
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| Formula |
C27H32N6O6S
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| Molecular Weight |
568.656
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CN(C1)c1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C27H32N6O6S/c1-27(2,3)38-26(35)28-17-13-33(14-17)20-10-11-21(24-23(20)30-39-31-24)40(36,37)32-25(34)29-22-18-8-4-6-15(18)12-16-7-5-9-19(16)22/h10-12,17H,4-9,13-14H2,1-3H3,(H,28,35)(H2,29,32,34)
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| InChIKey |
XAEUBMFMUAKEDD-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