General Information of the Compound
| Compound ID |
CP0521620
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| Compound Name |
US9045389, 7
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| Structure |
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| Formula |
C30H27ClN2O3
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| Molecular Weight |
499.01
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| Canonical SMILES |
Cc1cc(ccc1-c1ccccc1CNc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C30H27ClN2O3/c1-20-18-23(30(36)32-17-16-29(34)35)10-15-27(20)28-5-3-2-4-24(28)19-33-26-13-8-22(9-14-26)21-6-11-25(31)12-7-21/h2-15,18,33H,16-17,19H2,1H3,(H,32,36)(H,34,35)
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| InChIKey |
DBZWPDTZPGDXRT-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