General Information of the Compound
| Compound ID |
CP0158295
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| Compound Name |
lactam-based compound, 12g
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| Structure |
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| Formula |
C23H23Cl2N3O2
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| Molecular Weight |
444.362
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| Canonical SMILES |
COC(C)(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C23H23Cl2N3O2/c1-23(2,30-3)14-27-13-12-17-20(22(27)29)26-28(19-7-5-4-6-18(19)25)21(17)15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3
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| InChIKey |
ZYVLQPWWJVOLAX-UHFFFAOYSA-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