General Information of the Compound
| Compound ID |
CP0531094
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| Compound Name |
US9303015, 16
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| Structure |
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| Formula |
C28H24Cl2N4O2
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| Molecular Weight |
519.432
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| Canonical SMILES |
CN(C)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H24Cl2N4O2/c1-33(2)27-26(36-21-7-5-4-6-8-21)25(30)22-15-19(11-14-23(22)32-27)28(35,24-16-31-17-34(24)3)18-9-12-20(29)13-10-18/h4-17,35H,1-3H3
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| InChIKey |
AUNRETUDSHCGLM-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