General Information of the Compound
| Compound ID |
CP0961944
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| Compound Name |
US9314468, Table 7, Compound 12
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| Structure |
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| Formula |
C25H28FN5
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| Molecular Weight |
417.532
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| Canonical SMILES |
NCCCCN(Cc1nccc2c1[nH]c1cc(F)ccc12)C1CCCc2cccnc21
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| InChI |
InChI=1S/C25H28FN5/c26-18-8-9-19-20-10-13-28-22(25(20)30-21(19)15-18)16-31(14-2-1-11-27)23-7-3-5-17-6-4-12-29-24(17)23/h4,6,8-10,12-13,15,23,30H,1-3,5,7,11,14,16,27H2
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| InChIKey |
GQVVKVDNSZUCRF-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