General Information of the Compound
| Compound ID |
CP0572477
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| Compound Name |
US9469631, 1
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
CC1CC(CCN1C(=O)OC(C)(C)C)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
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| InChI |
InChI=1S/C24H31N3O4/c1-16-13-20(11-12-26(16)23(29)31-24(2,3)4)27(19-9-10-19)22(28)18-7-5-17(6-8-18)21-14-25-15-30-21/h5-8,14-16,19-20H,9-13H2,1-4H3
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| InChIKey |
JEZACBLNLWZCAP-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