General Information of the Compound
| Compound ID |
CP0536305
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| Compound Name |
US8933079, 3.4
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| Structure |
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| Formula |
C25H26ClN3O4
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| Molecular Weight |
467.953
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| Canonical SMILES |
Cc1cc(CN2CC[C@@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C25H26ClN3O4/c1-17-10-18(13-28-8-6-21(30)14-28)2-5-23(17)24(31)15-29-9-7-22(11-25(29)32)33-16-20-4-3-19(26)12-27-20/h2-5,7,9-12,21,30H,6,8,13-16H2,1H3/t21-/m1/s1
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| InChIKey |
XHELLLUSGIYRMZ-OAQYLSRUSA-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