General Information of the Compound
| Compound ID |
CP0510197
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| Compound Name |
US8680275, 122
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| Structure |
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| Formula |
C22H18ClFN6O2
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| Molecular Weight |
452.877
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| Canonical SMILES |
Fc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc3cc(Cl)ccc3o2)c(c1)-n1nccn1
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| InChI |
InChI=1S/C22H18ClFN6O2/c23-14-1-4-20-17(9-14)27-22(32-20)29-11-13-5-8-28(12-19(13)29)21(31)16-3-2-15(24)10-18(16)30-25-6-7-26-30/h1-4,6-7,9-10,13,19H,5,8,11-12H2/t13-,19-/m0/s1
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| InChIKey |
UGARRAULODPKDT-DJJJIMSYSA-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