General Information of the Compound
| Compound ID |
CP0350638
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| Compound Name |
US8680275, 152
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| Structure |
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| Formula |
C23H19F4N5O
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| Molecular Weight |
457.431
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| Canonical SMILES |
Fc1cccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2cc(ccn2)C(F)(F)F)c1-c1ncccn1
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| InChI |
InChI=1S/C23H19F4N5O/c24-17-4-1-3-16(20(17)21-29-7-2-8-30-21)22(33)31-10-6-14-12-32(18(14)13-31)19-11-15(5-9-28-19)23(25,26)27/h1-5,7-9,11,14,18H,6,10,12-13H2/t14-,18-/m0/s1
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| InChIKey |
XZFBUBSXLJEFOU-KSSFIOAISA-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