General Information of the Compound
| Compound ID |
CP0556550
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| Compound Name |
US9079906, 14
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| Structure |
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| Formula |
C27H38N6O4
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| Molecular Weight |
510.639
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| Canonical SMILES |
CCC(CC)Oc1ccc2nn(CC(=O)c3cc(N4CCOCC4)c(OC)c(c3)C(C)(C)C)c(=N)n2n1
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| InChI |
InChI=1S/C27H38N6O4/c1-7-19(8-2)37-24-10-9-23-29-32(26(28)33(23)30-24)17-22(34)18-15-20(27(3,4)5)25(35-6)21(16-18)31-11-13-36-14-12-31/h9-10,15-16,19,28H,7-8,11-14,17H2,1-6H3
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| InChIKey |
HPSWHJDEAYKFLZ-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