General Information of the Compound
| Compound ID |
CP0954728
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| Compound Name |
US8993765, 15
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| Structure |
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| Formula |
C23H20Cl2N4O2
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| Molecular Weight |
455.345
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| Canonical SMILES |
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCC2
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| InChI |
InChI=1S/C23H20Cl2N4O2/c1-28-20-6-8-26-12-18(20)17-4-5-21(27-23(17)28)29-9-7-16(11-22(29)30)31-13-14-2-3-15(24)10-19(14)25/h2-5,7,9-11,26H,6,8,12-13H2,1H3
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| InChIKey |
PJLWEZPJYONFLB-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