General Information of the Compound
| Compound ID |
CP0148655
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| Compound Name |
US8680275, 143
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| Structure |
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| Formula |
C24H25FN6O
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| Molecular Weight |
432.503
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| Canonical SMILES |
CN(C)c1ccnc(c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-c1ncccn1
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| InChI |
InChI=1S/C24H25FN6O/c1-29(2)17-7-11-26-21(13-17)31-14-16-8-12-30(15-20(16)31)24(32)18-5-3-6-19(25)22(18)23-27-9-4-10-28-23/h3-7,9-11,13,16,20H,8,12,14-15H2,1-2H3/t16-,20-/m0/s1
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| InChIKey |
PGQUWZXMFPXHSD-JXFKEZNVSA-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