General Information of the Compound
| Compound ID |
CP0400739
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| Compound Name |
US8901315, 191
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| Structure |
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| Formula |
C25H32FN5OS
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| Molecular Weight |
469.63
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| Canonical SMILES |
CN1CCCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
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| InChI |
InChI=1S/C25H32FN5OS/c1-17-20-16-23(33-25(20)31(28-17)19-7-4-3-5-8-19)24(32)27-18-9-10-22(21(26)15-18)30-12-6-11-29(2)13-14-30/h9-10,15-16,19H,3-8,11-14H2,1-2H3,(H,27,32)
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| InChIKey |
TXDFKCRPNQTKOH-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