General Information of the Compound
| Compound ID |
CP0553899
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| Compound Name |
US9079906, 76
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| Structure |
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| Formula |
C24H33N5O3
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| Molecular Weight |
439.56
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| Canonical SMILES |
CCC(CC)Oc1nn2c(cc1C)nn(CC(=O)c1cc(OC)cc(c1)C(C)(C)C)c2=N
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| InChI |
InChI=1S/C24H33N5O3/c1-8-18(9-2)32-22-15(3)10-21-26-28(23(25)29(21)27-22)14-20(30)16-11-17(24(4,5)6)13-19(12-16)31-7/h10-13,18,25H,8-9,14H2,1-7H3
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| InChIKey |
LARIJMGYYOCKDC-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