General Information of the Compound
| Compound ID |
CP0952445
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| Compound Name |
US9126941, RD91
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| Structure |
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| Formula |
C23H22F3N5S2
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| Molecular Weight |
489.592
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| Canonical SMILES |
[C-]#[N+]c1ccc(N2C(=S)N(c3ccc(C)cc3)C(C)(C)/C2=N/C(=S)NCC)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N5S2/c1-6-28-20(32)29-19-22(3,4)31(15-9-7-14(2)8-10-15)21(33)30(19)16-11-12-18(27-5)17(13-16)23(24,25)26/h7-13H,6H2,1-4H3,(H,28,32)/b29-19-
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| InChIKey |
HFAFSFUMYQOJNC-CEUNXORHSA-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