General Information of the Compound
| Compound ID |
CP0003850
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| Compound Name |
US9777008, Compound 136
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
Cn1ncc2ccc(cc12)-c1cc(COCC(O)CN2CCc3ccccc3C2)on1
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| InChI |
InChI=1S/C24H26N4O3/c1-27-24-10-18(6-7-19(24)12-25-27)23-11-22(31-26-23)16-30-15-21(29)14-28-9-8-17-4-2-3-5-20(17)13-28/h2-7,10-12,21,29H,8-9,13-16H2,1H3
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| InChIKey |
NYVGPGKUDXEWTE-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