General Information of the Compound
| Compound ID |
CP0539962
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| Compound Name |
US9409915, 103
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| Structure |
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| Formula |
C21H19Cl3N5NaO
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| Molecular Weight |
486.766
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| Canonical SMILES |
COc1nc(cc2nc(-c3c(Cl)c(nn3C)C(C)(C)C)n([Na])c12)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C21H19Cl3N5O.Na/c1-21(2,3)18-15(24)17(29(4)28-18)19-25-13-9-12(26-20(30-5)16(13)27-19)14-10(22)7-6-8-11(14)23;/h6-9H,1-5H3;/q-1;+1
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| InChIKey |
PXPCKSAPWJMADV-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