General Information of the Compound
| Compound ID |
CP0413521
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| Compound Name |
US9266876, 167
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| Structure |
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| Formula |
C26H23F3N8O3S
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| Molecular Weight |
584.584
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| Canonical SMILES |
COC(=O)c1ccc2[nH]c(nc2c1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N8O3S/c1-14-11-35(8-9-37(14)19(38)12-36-13-31-17-4-3-7-30-22(17)36)23-20(34-25(41-23)26(27,28)29)21-32-16-6-5-15(24(39)40-2)10-18(16)33-21/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,32,33)/t14-/m1/s1
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| InChIKey |
NPNZCOPQACHOOM-CQSZACIVSA-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