General Information of the Compound
| Compound ID |
CP0136991
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| Compound Name |
US9303015, 40
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| Structure |
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| Formula |
C28H23Cl3N4O
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| Molecular Weight |
537.878
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| Canonical SMILES |
CCN(c1ccccc1)c1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H23Cl3N4O/c1-3-35(21-7-5-4-6-8-21)26-25(30)22-15-19(11-14-23(22)33-27(26)31)28(36,24-16-32-17-34(24)2)18-9-12-20(29)13-10-18/h4-17,36H,3H2,1-2H3
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| InChIKey |
QKBAPBUOFNHEOM-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