General Information of the Compound
| Compound ID |
CP0402892
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| Compound Name |
US9365558, 91
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| Structure |
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| Formula |
C25H26F6N4O5S
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| Molecular Weight |
608.561
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccn(CC2CC2)n1
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| InChI |
InChI=1S/C25H26F6N4O5S/c1-41(38,39)34-22(37)20-18(19-9-11-35(33-19)14-15-3-4-15)13-23(25(29,30)31,32-21(20)36)16-5-7-17(8-6-16)40-12-2-10-24(26,27)28/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,32,36)(H,34,37)/t23-/m0/s1
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| InChIKey |
LWJQQUPVAALABD-QHCPKHFHSA-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