General Information of the Compound
| Compound ID |
CP0006597
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| Compound Name |
US9745291, Compound 91
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| Structure |
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| Formula |
C23H29N3O3
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| Molecular Weight |
395.503
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| Canonical SMILES |
OC(CNC(=O)COc1cccc2CNCCc12)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H29N3O3/c27-20(15-26-11-9-17-4-1-2-5-19(17)14-26)13-25-23(28)16-29-22-7-3-6-18-12-24-10-8-21(18)22/h1-7,20,24,27H,8-16H2,(H,25,28)
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| InChIKey |
NWVUFDUHQFAMBC-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