General Information of the Compound
| Compound ID |
CP0519501
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| Compound Name |
US9315518, 38-5
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| Structure |
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| Formula |
C21H30N6O2
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| Molecular Weight |
398.511
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| Canonical SMILES |
Cn1cnc(c1)C(=O)NCCCCc1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
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| InChI |
InChI=1S/C21H30N6O2/c1-21(2,3)13-27-17-10-9-15(24-18(17)26(5)20(27)29)8-6-7-11-22-19(28)16-12-25(4)14-23-16/h9-10,12,14H,6-8,11,13H2,1-5H3,(H,22,28)
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| InChIKey |
CGLMRXSTGOMRJD-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