General Information of the Compound
| Compound ID |
CP0493386
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| Compound Name |
US9249096, 30
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| Structure |
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| Formula |
C23H24Cl2N2O3
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| Molecular Weight |
447.362
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| Canonical SMILES |
CN1C(Cc2ccc(C)cc2)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C23H24Cl2N2O3/c1-14-5-7-16(8-6-14)13-19-20(21(28)23(30)27(19)2)22(29)26-11-3-4-15-9-10-17(24)18(25)12-15/h5-10,12,19,28H,3-4,11,13H2,1-2H3,(H,26,29)
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| InChIKey |
SMTQLPFVXUOEIP-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