General Information of the Compound
| Compound ID |
CP0013528
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| Compound Name |
US9745291, Compound 43
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| Structure |
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| Formula |
C25H29N3O3
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| Molecular Weight |
419.525
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| Canonical SMILES |
CC(C)(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H29N3O3/c1-25(2,31-22-11-5-9-19-10-6-13-26-23(19)22)24(30)27-15-21(29)17-28-14-12-18-7-3-4-8-20(18)16-28/h3-11,13,21,29H,12,14-17H2,1-2H3,(H,27,30)
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| InChIKey |
IZEQSILFMCBRBW-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