General Information of the Compound
| Compound ID |
CP0531820
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| Compound Name |
US8933079, 3.14
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| Structure |
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| Formula |
C27H30ClN3O4
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| Molecular Weight |
496.007
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| Canonical SMILES |
Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C27H30ClN3O4/c1-19-12-20(15-30-10-3-2-4-23(30)17-32)5-8-25(19)26(33)16-31-11-9-24(13-27(31)34)35-18-22-7-6-21(28)14-29-22/h5-9,11-14,23,32H,2-4,10,15-18H2,1H3/t23-/m1/s1
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| InChIKey |
ISMRRACHSQJEQW-HSZRJFAPSA-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