General Information of the Compound
| Compound ID |
CP0512199
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| Compound Name |
US8653125, Ia-35
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1
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| InChI |
InChI=1S/C23H23N3O3/c27-22(24-19-10-6-17(7-11-19)16-4-2-1-3-5-16)18-8-12-20(13-9-18)25-23(28)21-14-15-29-26-21/h1-7,10-11,14-15,18,20H,8-9,12-13H2,(H,24,27)(H,25,28)/t18-,20+
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| InChIKey |
MNARXDIEJURKNW-PUZFROQSSA-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