General Information of the Compound
| Compound ID |
CP0413520
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| Compound Name |
US9266876, 166
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| Structure |
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| Formula |
C26H25F3N8O2S
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| Molecular Weight |
570.601
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| Canonical SMILES |
CC(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/C26H25F3N8O2S/c1-14-11-35(8-9-37(14)20(39)12-36-13-31-18-4-3-7-30-23(18)36)24-21(34-25(40-24)26(27,28)29)22-32-17-6-5-16(15(2)38)10-19(17)33-22/h3-7,10,13-15,38H,8-9,11-12H2,1-2H3,(H,32,33)/t14-,15?/m1/s1
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| InChIKey |
GUACISYFMJNFES-GICMACPYSA-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