General Information of the Compound
| Compound ID |
CP0458546
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| Compound Name |
US9469631, 101
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| Structure |
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| Formula |
C30H39N3O4
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| Molecular Weight |
505.659
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C30H39N3O4/c1-30(2,3)37-29(35)32-16-14-27(15-17-32)33(26-12-13-26)28(34)24-6-4-22(5-7-24)23-8-10-25(11-9-23)31-18-20-36-21-19-31/h4-11,26-27H,12-21H2,1-3H3
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| InChIKey |
NGQRPAYTIWQCKR-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