General Information of the Compound
| Compound ID |
CP0516163
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| Compound Name |
US8802711, 50
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@H]3CC[C@H](C3)c3ccccc3)c2ccc1=O
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| InChI |
InChI=1S/C22H23N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,12-13,16-17H,10-11,14H2,1H3,(H2,23,24,27)/t16-,17+/m1/s1
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| InChIKey |
ADHPABPSTJYXKJ-SJORKVTESA-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