General Information of the Compound
| Compound ID |
CP0241001
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| Compound Name |
US9266835, 117
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| Structure |
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| Formula |
C29H27Cl2N3O3
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| Molecular Weight |
536.459
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| Canonical SMILES |
OC(=O)CN1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H27Cl2N3O3/c30-21-6-1-18(2-7-21)29(19-3-8-22(31)9-4-19)20-5-10-25-24(15-20)26(16-27(35)33-25)32-23-11-13-34(14-12-23)17-28(36)37/h1-10,15-16,23,29H,11-14,17H2,(H,36,37)(H2,32,33,35)
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| InChIKey |
HZCPANOURNTWMI-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