General Information of the Compound
| Compound ID |
CP0553377
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| Compound Name |
US9029393, 139
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| Structure |
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| Formula |
C22H23ClN4O2
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| Molecular Weight |
410.905
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| Canonical SMILES |
CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Cl)nn12
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| InChI |
InChI=1S/C22H23ClN4O2/c1-2-26(17-6-4-3-5-7-17)22(29)16-10-8-15(9-11-16)21(28)18-14-24-20-13-12-19(23)25-27(18)20/h8-14,17H,2-7H2,1H3
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| InChIKey |
WURNROSIJDLPMN-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