General Information of the Compound
| Compound ID |
CP0520453
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| Compound Name |
US8653125, Ic-5
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| Formula |
C24H30ClN3O3
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| Molecular Weight |
443.975
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(Cl)ccn2)cc1
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| InChI |
InChI=1S/C24H30ClN3O3/c1-16-14-28(15-17(2)30-16)21-7-5-20(6-8-21)27-24(29)18-3-9-22(10-4-18)31-23-13-19(25)11-12-26-23/h5-8,11-13,16-18,22H,3-4,9-10,14-15H2,1-2H3,(H,27,29)/t16-,17+,18-,22+
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| InChIKey |
CJAWKTONYJOHOK-XYGUIBQMSA-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