General Information of the Compound
| Compound ID |
CP0523905
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| Compound Name |
US9163012, 25
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| Structure |
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| Formula |
C19H27N3O4
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| Molecular Weight |
361.442
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| Canonical SMILES |
Cc1nnc(o1)C1CCCN(C1)C(=O)OC1C2CC3CC1CC(O)(C3)C2
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| InChI |
InChI=1S/C19H27N3O4/c1-11-20-21-17(25-11)13-3-2-4-22(10-13)18(23)26-16-14-5-12-6-15(16)9-19(24,7-12)8-14/h12-16,24H,2-10H2,1H3
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| InChIKey |
PTNJDBRUJNQVCL-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