General Information of the Compound
| Compound ID |
CP0518276
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| Compound Name |
US8933079, 7.5
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| Structure |
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| Formula |
C25H27ClN4O3
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| Molecular Weight |
466.969
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| Canonical SMILES |
Cc1cc(CN2CCCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C25H27ClN4O3/c1-18-11-19(15-29-9-3-2-4-10-29)5-8-23(18)24(31)16-30-25(32)12-22(14-28-30)33-17-21-7-6-20(26)13-27-21/h5-8,11-14H,2-4,9-10,15-17H2,1H3
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| InChIKey |
DUVOBPYNYFZFGP-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