General Information of the Compound
| Compound ID |
CP0576461
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| Compound Name |
US9062048, 52
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| Formula |
C24H31F3N6O2
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| Molecular Weight |
492.546
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)N3CCCCO3)c2c1
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| InChI |
InChI=1S/C24H31F3N6O2/c25-24(26,27)16-3-8-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-32(14-17)18-4-6-19(7-5-18)33-9-1-2-10-35-33/h3,8,11,15,17-19H,1-2,4-7,9-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19+
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| InChIKey |
ZPEGBJQITATVFP-KDURUIRLSA-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