General Information of the Compound
| Compound ID |
CP0516881
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| Compound Name |
US9163015, 31
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| Structure |
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| Formula |
C15H15ClN6
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| Molecular Weight |
314.78
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| Canonical SMILES |
Clc1cc(Nc2n[nH]c3cccnc23)cnc1N1CCCC1
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| InChI |
InChI=1S/C15H15ClN6/c16-11-8-10(9-18-15(11)22-6-1-2-7-22)19-14-13-12(20-21-14)4-3-5-17-13/h3-5,8-9H,1-2,6-7H2,(H2,19,20,21)
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| InChIKey |
YHMNNARMHHMLIH-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