General Information of the Compound
| Compound ID |
CP0479322
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| Compound Name |
US8680275, 178
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ncoc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H22ClN5O2/c1-13-8-14(2)26-22(25-13)28-10-16-6-7-27(11-18(16)28)21(29)19-20(30-12-24-19)15-4-3-5-17(23)9-15/h3-5,8-9,12,16,18H,6-7,10-11H2,1-2H3/t16-,18-/m0/s1
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| InChIKey |
VGVHYZBJMGKIJW-WMZOPIPTSA-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