General Information of the Compound
| Compound ID |
CP0554189
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| Compound Name |
US9062048, 12
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| Formula |
C24H29F3N6O2
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| Molecular Weight |
490.53
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCC(=O)N3)c2c1
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| InChI |
InChI=1S/C24H29F3N6O2/c25-24(26,27)15-3-6-20-18(9-15)23(30-13-29-20)28-10-22(35)31-16-11-33(12-16)17-4-1-14(2-5-17)19-7-8-21(34)32-19/h3,6,9,13-14,16-17,19H,1-2,4-5,7-8,10-12H2,(H,31,35)(H,32,34)(H,28,29,30)/t14-,17+,19?
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| InChIKey |
LXIXJKBRLYHJHS-RWWHEGPVSA-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