General Information of the Compound
| Compound ID |
CP0563072
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| Compound Name |
US8975247, EBP484
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| Structure |
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| Formula |
C21H24ClN3O2
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| Molecular Weight |
385.895
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| Canonical SMILES |
COc1ccc2nc(CN3CCC[C@H]3CO)n(Cc3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C21H24ClN3O2/c1-27-18-8-9-19-20(11-18)25(12-15-4-6-16(22)7-5-15)21(23-19)13-24-10-2-3-17(24)14-26/h4-9,11,17,26H,2-3,10,12-14H2,1H3/t17-/m0/s1
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| InChIKey |
LVPMIHVTBWZBAF-KRWDZBQOSA-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