General Information of the Compound
| Compound ID |
CP0230076
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| Compound Name |
US8680275, 153
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| Structure |
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| Formula |
C24H24FN5O
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| Molecular Weight |
417.488
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| Canonical SMILES |
Cc1cc(C)nc(c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cccc(F)c1-c1ncccn1
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| InChI |
InChI=1S/C24H24FN5O/c1-15-11-16(2)28-21(12-15)30-13-17-7-10-29(14-20(17)30)24(31)18-5-3-6-19(25)22(18)23-26-8-4-9-27-23/h3-6,8-9,11-12,17,20H,7,10,13-14H2,1-2H3/t17-,20-/m0/s1
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| InChIKey |
MBEKCIKDJYZYAN-PXNSSMCTSA-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