General Information of the Compound
| Compound ID |
CP0443690
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| Compound Name |
US8993586, 47
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| Structure |
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| Formula |
C24H32N6O3
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| Molecular Weight |
452.559
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| Canonical SMILES |
CC1=NNC2C1C=C(C=C2C)C(=O)N1CCC2(CC1)Cc1cn(CC(C)(C)O)nc1C(=O)N2
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| InChI |
InChI=1S/C24H32N6O3/c1-14-9-16(10-18-15(2)26-27-19(14)18)22(32)29-7-5-24(6-8-29)11-17-12-30(13-23(3,4)33)28-20(17)21(31)25-24/h9-10,12,18-19,27,33H,5-8,11,13H2,1-4H3,(H,25,31)
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| InChIKey |
ZKJCFNRXGCROFT-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