General Information of the Compound
| Compound ID |
CP0445182
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| Compound Name |
US9045389, 8
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| Structure |
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| Formula |
C29H23Cl3N2O3
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| Molecular Weight |
553.873
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(cc1)-c1cc(Cl)ccc1CNc1ccc(cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C29H23Cl3N2O3/c30-22-8-5-21(17-34-24-10-6-18(7-11-24)25-12-9-23(31)16-27(25)32)26(15-22)19-1-3-20(4-2-19)29(37)33-14-13-28(35)36/h1-12,15-16,34H,13-14,17H2,(H,33,37)(H,35,36)
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| InChIKey |
UOXBWPOEKZEVKV-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