General Information of the Compound
| Compound ID |
CP0463897
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| Compound Name |
US9216968, 121
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| Structure |
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| Formula |
C29H30Cl2N4O5
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| Molecular Weight |
585.488
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| Canonical SMILES |
CCOCCOCc1ccc(Cl)c(c1)C(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2C)c2nc(COC)[nH]c2c1
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| InChI |
InChI=1S/C29H30Cl2N4O5/c1-4-39-10-11-40-15-18-8-9-23(31)20(12-18)28(36)32-19-13-21(27-25(14-19)33-26(35-27)16-38-3)29(37)34-24-7-5-6-22(30)17(24)2/h5-9,12-14H,4,10-11,15-16H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)
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| InChIKey |
UXWHLZQPPOMKCV-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