General Information of the Compound
| Compound ID |
CP0442922
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| Compound Name |
US8975247, EBP163
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
OC[C@@H]1CCCN1Cc1nc2ccccc2n1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H22ClN3O/c21-16-9-7-15(8-10-16)12-24-19-6-2-1-5-18(19)22-20(24)13-23-11-3-4-17(23)14-25/h1-2,5-10,17,25H,3-4,11-14H2/t17-/m0/s1
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| InChIKey |
DNVVPFZYKKHGFR-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