General Information of the Compound
| Compound ID |
CP0566280
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| Compound Name |
US9303015, 17
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| Structure |
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| Formula |
C28H26ClN5O3
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| Molecular Weight |
516.001
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| Canonical SMILES |
COc1ccc(cn1)C(O)(c1cncn1C)c1ccc2nc(N(C)C)c(Oc3ccccc3)c(Cl)c2c1
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| InChI |
InChI=1S/C28H26ClN5O3/c1-33(2)27-26(37-20-8-6-5-7-9-20)25(29)21-14-18(10-12-22(21)32-27)28(35,23-16-30-17-34(23)3)19-11-13-24(36-4)31-15-19/h5-17,35H,1-4H3
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| InChIKey |
TZZKHOLXWCJBLK-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