General Information of the Compound
| Compound ID |
CP0519912
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| Compound Name |
US9365558, 58
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| Structure |
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| Formula |
C29H32F6N4O4S
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| Molecular Weight |
646.654
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| Canonical SMILES |
FC(F)(F)CCCCCn1cc(cn1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc2CCCCc2c1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N4O4S/c30-28(31,32)12-4-1-5-13-39-17-21(16-36-39)27(29(33,34)35)15-23(20-9-8-18-6-2-3-7-19(18)14-20)24(25(40)37-27)26(41)38-44(42,43)22-10-11-22/h8-9,14,16-17,22H,1-7,10-13,15H2,(H,37,40)(H,38,41)/t27-/m0/s1
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| InChIKey |
ZBIGUWQYMXNXCZ-MHZLTWQESA-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