General Information of the Compound
| Compound ID |
CP0574942
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| Compound Name |
CHEMBL4870664
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| Formula |
C24H24ClN3O2
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| Molecular Weight |
421.928
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@H]2C[C@H](C[C@@H]12)Oc1ccnc2ccncc12
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| InChI |
InChI=1S/C24H24ClN3O2/c1-2-20(28-24(29)14-3-5-15(25)6-4-14)23-17-11-16(12-18(17)23)30-22-8-10-27-21-7-9-26-13-19(21)22/h3-10,13,16-18,20,23H,2,11-12H2,1H3,(H,28,29)/t16-,17+,18-,20?,23+
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| InChIKey |
RQMKKQCJQKYEIY-BSSRECETSA-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