General Information of the Compound
| Compound ID |
CP0503610
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| Compound Name |
US9216968, 116
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| Structure |
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| Formula |
C28H28Cl2N4O4
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| Molecular Weight |
555.462
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| Canonical SMILES |
COCCCc1ccc(Cl)c(c1)C(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2C)c2nc(COC)[nH]c2c1
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| InChI |
InChI=1S/C28H28Cl2N4O4/c1-16-21(29)7-4-8-23(16)33-28(36)20-13-18(14-24-26(20)34-25(32-24)15-38-3)31-27(35)19-12-17(6-5-11-37-2)9-10-22(19)30/h4,7-10,12-14H,5-6,11,15H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
KNECRESNBHGKBV-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