General Information of the Compound
| Compound ID |
CP0570344
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| Compound Name |
1-[[7-[(3,3-difluorocyclobutyl)amino]-2,1,3-benzoxadiazol-4-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 |
C23H23F2N5O4S
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| Molecular Weight |
503.531
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| Canonical SMILES |
FC1(F)CC(C1)Nc1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C23H23F2N5O4S/c24-23(25)10-14(11-23)26-17-7-8-18(21-20(17)28-34-29-21)35(32,33)30-22(31)27-19-15-5-1-3-12(15)9-13-4-2-6-16(13)19/h7-9,14,26H,1-6,10-11H2,(H2,27,30,31)
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| InChIKey |
IZHOJKSYIADPGG-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