General Information of the Compound
| Compound ID |
CP0508501
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| Compound Name |
US8598155, 8
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| Structure |
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| Formula |
C21H23N7O
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| Molecular Weight |
389.463
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| Canonical SMILES |
COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(C)c1
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| InChI |
InChI=1S/C21H23N7O/c1-13-10-15(29-4)6-7-16(13)19-17(11-23-26(19)3)18-20-21(27-8-5-9-27)22-12-24-28(20)14(2)25-18/h6-7,10-12H,5,8-9H2,1-4H3
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| InChIKey |
MRBSHEHZGHRREW-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