General Information of the Compound
| Compound ID |
CP0106825
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| Compound Name |
US8680275, 29
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| Structure |
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| Formula |
C21H22FN7O
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| Molecular Weight |
407.453
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1c(F)cccc1-n1nccn1
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| InChI |
InChI=1S/C21H22FN7O/c1-13-10-14(2)26-21(25-13)28-11-15-6-9-27(12-18(15)28)20(30)19-16(22)4-3-5-17(19)29-23-7-8-24-29/h3-5,7-8,10,15,18H,6,9,11-12H2,1-2H3
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| InChIKey |
SJCRTLFZMYFXRM-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