General Information of the Compound
| Compound ID |
CP0355637
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| Compound Name |
US10308660, Example 41
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| Structure |
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| Formula |
C21H26F4N6OS
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| Molecular Weight |
486.539
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| Canonical SMILES |
C[C@@H]1CC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@H](N)[C@H]1F
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| InChI |
InChI=1S/C21H26F4N6OS/c1-11-10-20(15(26)13(11)22)5-8-31(9-6-20)19-29-17(27)14(18(32)30(19)2)33-12-4-3-7-28-16(12)21(23,24)25/h3-4,7,11,13,15H,5-6,8-10,26-27H2,1-2H3/t11-,13+,15-/m1/s1
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| InChIKey |
UFFOHMITCZLLOC-OSAQELSMSA-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