General Information of the Compound
| Compound ID |
CP0450247
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| Compound Name |
US8933079, 7.15
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| Structure |
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| Formula |
C24H25ClN4O3
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| Molecular Weight |
452.942
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| Canonical SMILES |
Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C24H25ClN4O3/c1-17-10-18(14-28-8-2-3-9-28)4-7-22(17)23(30)15-29-24(31)11-21(13-27-29)32-16-20-6-5-19(25)12-26-20/h4-7,10-13H,2-3,8-9,14-16H2,1H3
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| InChIKey |
OTMIJBMKVBEOGC-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