General Information of the Compound
| Compound ID |
CP0541125
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| Compound Name |
US10233190, Example 1363
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| Structure |
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| Formula |
C22H29N3O3
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| Molecular Weight |
383.492
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
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| InChI |
InChI=1S/C22H29N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3
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| InChIKey |
QYRWUEOAQAHUBN-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