General Information of the Compound
| Compound ID |
CP0539117
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| Compound Name |
US8802672, 7
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| Structure |
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| Formula |
C22H35Cl2N7O2
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| Molecular Weight |
500.475
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| Canonical SMILES |
CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N2CCOCC2)CC1
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| InChI |
InChI=1S/C22H35Cl2N7O2/c1-25-21-27-19(24)18(23)20(28-21)30-10-8-29(9-11-30)7-6-16-2-4-17(5-3-16)26-22(32)31-12-14-33-15-13-31/h16-17H,2-15H2,1H3,(H,26,32)(H,25,27,28)
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| InChIKey |
AXVHZOULLRVZMO-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