General Information of the Compound
| Compound ID |
CP0564039
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| Compound Name |
US8680275, 147
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| Structure |
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| Formula |
C22H21F3N6O
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| Molecular Weight |
442.445
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| Canonical SMILES |
Cc1cccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2cc(ccn2)C(F)(F)F)c1-n1nccn1
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| InChI |
InChI=1S/C22H21F3N6O/c1-14-3-2-4-17(20(14)31-27-8-9-28-31)21(32)29-10-6-15-12-30(18(15)13-29)19-11-16(5-7-26-19)22(23,24)25/h2-5,7-9,11,15,18H,6,10,12-13H2,1H3/t15-,18-/m0/s1
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| InChIKey |
UOIWGXKIAIQMDU-YJBOKZPZSA-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