General Information of the Compound
| Compound ID |
CP0559133
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| Compound Name |
US9079906, 56
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| Structure |
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| Formula |
C22H27ClN6O3
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| Molecular Weight |
458.95
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| Canonical SMILES |
COc1c(cc(cc1C(C)(C)C)C(=O)Cn1nc2ccc(Cl)nn2c1=N)N1CCOCC1
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| InChI |
InChI=1S/C22H27ClN6O3/c1-22(2,3)15-11-14(12-16(20(15)31-4)27-7-9-32-10-8-27)17(30)13-28-21(24)29-19(26-28)6-5-18(23)25-29/h5-6,11-12,24H,7-10,13H2,1-4H3
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| InChIKey |
ANHBRMBHKAZADD-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