General Information of the Compound
| Compound ID |
CP0491483
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| Compound Name |
US8933079, 5.5
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| Structure |
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| Formula |
C25H27N3O4
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| Molecular Weight |
433.508
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| Canonical SMILES |
Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C25H27N3O4/c1-18-11-20(14-27-10-9-21(29)15-27)7-8-23(18)24(30)16-28-25(31)12-22(13-26-28)32-17-19-5-3-2-4-6-19/h2-8,11-13,21,29H,9-10,14-17H2,1H3/t21-/m0/s1
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| InChIKey |
NIUWQKRIASUXPW-NRFANRHFSA-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