General Information of the Compound
| Compound ID |
CP0503608
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| Compound Name |
US9216968, 115
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| Structure |
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| Formula |
C28H28Cl2N4O5
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| Molecular Weight |
571.461
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| Canonical SMILES |
CCOCCOc1ccc(Cl)c(c1)C(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2C)c2nc(COC)[nH]c2c1
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| InChI |
InChI=1S/C28H28Cl2N4O5/c1-4-38-10-11-39-18-8-9-22(30)19(14-18)27(35)31-17-12-20(26-24(13-17)32-25(34-26)15-37-3)28(36)33-23-7-5-6-21(29)16(23)2/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
JWZBGHBNGOYQTL-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