General Information of the Compound
| Compound ID |
CP0966865
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| Compound Name |
US9163015, 35
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| Structure |
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| Formula |
C20H21ClN6O2
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| Molecular Weight |
412.881
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| Canonical SMILES |
CN1C(=O)N(c2ccc(Nc3n[nH]c4cccnc34)cc2Cl)C(=O)C1C(C)(C)C
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| InChI |
InChI=1S/C20H21ClN6O2/c1-20(2,3)16-18(28)27(19(29)26(16)4)14-8-7-11(10-12(14)21)23-17-15-13(24-25-17)6-5-9-22-15/h5-10,16H,1-4H3,(H2,23,24,25)
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| InChIKey |
GMAIHWNDASSSEY-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