General Information of the Compound
| Compound ID |
CP0418191
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| Compound Name |
US9045389, 18
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| Structure |
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| Formula |
C29H25ClN2O3
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| Molecular Weight |
484.983
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1CNc1ccc(cc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H25ClN2O3/c30-25-13-9-20(10-14-25)21-11-15-26(16-12-21)32-19-24-3-1-2-4-27(24)22-5-7-23(8-6-22)29(35)31-18-17-28(33)34/h1-16,32H,17-19H2,(H,31,35)(H,33,34)
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| InChIKey |
GLNLDLRESPSTDS-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