General Information of the Compound
| Compound ID |
CP0516783
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| Compound Name |
US8906911, 59
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| Structure |
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| Formula |
C24H31F3N4O2
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| Molecular Weight |
464.532
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| Canonical SMILES |
FC(F)(F)c1ccnc(c1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@H](C2)N1CCOCC1
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| InChI |
InChI=1S/C24H31F3N4O2/c25-24(26,27)17-3-5-28-21(11-17)30-14-20-12-19(30)15-31(20)22(32)23-4-1-2-16(23)10-18(13-23)29-6-8-33-9-7-29/h3,5,11,16,18-20H,1-2,4,6-10,12-15H2/t16-,18-,19+,20+,23-/m1/s1
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| InChIKey |
KDWYCPHVWQFSCK-HAQLJNRYSA-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