General Information of the Compound
| Compound ID |
CP0572409
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| Compound Name |
US8993586, 18
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| Structure |
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| Formula |
C21H24N6O2
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| Molecular Weight |
392.463
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cc4ncccc4[nH]3)NC(=O)c12
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| InChI |
InChI=1S/C21H24N6O2/c1-13(2)27-18-14(12-23-27)11-21(25-19(18)28)5-8-26(9-6-21)20(29)17-10-16-15(24-17)4-3-7-22-16/h3-4,7,10,12-13,24H,5-6,8-9,11H2,1-2H3,(H,25,28)
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| InChIKey |
IOBQZXIUUDKZNT-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