General Information of the Compound
| Compound ID |
CP0347123
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| Compound Name |
US9303015, 36
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| Structure |
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| Formula |
C30H25Cl2N3O2
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| Molecular Weight |
530.455
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| Canonical SMILES |
CCOc1nc2ccc(cc2c(Cl)c1N(C)c1ccccc1)C(O)(c1cccnc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C30H25Cl2N3O2/c1-3-37-29-28(35(2)24-12-5-4-6-13-24)27(32)25-18-21(14-15-26(25)34-29)30(36,22-10-8-16-33-19-22)20-9-7-11-23(31)17-20/h4-19,36H,3H2,1-2H3
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| InChIKey |
CZNDPOIIONPSFG-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