General Information of the Compound
| Compound ID |
CP0576033
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| Compound Name |
1-[[7-[[(1R,2R)-2-(dimethylamino)cyclohexyl]-methylamino]-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 |
C28H36N6O4S
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| Molecular Weight |
552.701
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| Canonical SMILES |
CN(C)[C@@H]1CCCC[C@H]1N(C)c1ccc(c2nonc12)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12
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| InChI |
InChI=1S/C28H36N6O4S/c1-33(2)21-12-4-5-13-22(21)34(3)23-14-15-24(27-26(23)30-38-31-27)39(36,37)32-28(35)29-25-19-10-6-8-17(19)16-18-9-7-11-20(18)25/h14-16,21-22H,4-13H2,1-3H3,(H2,29,32,35)/t21-,22-/m1/s1
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| InChIKey |
BBSZEVXDLBGRNJ-FGZHOGPDSA-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