General Information of the Compound
| Compound ID |
CP0403911
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| Compound Name |
CHEMBL2403857
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| Formula |
C26H32ClN3O
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| Molecular Weight |
438.015
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| Canonical SMILES |
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccccc2C1
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| InChI |
InChI=1S/C26H32ClN3O/c1-26(2,31)25-29-23-15-20(27)7-12-24(23)30(25)22-10-8-21(9-11-22)28-16-17-13-18-5-3-4-6-19(18)14-17/h3-7,12,15,17,21-22,28,31H,8-11,13-14,16H2,1-2H3/t21-,22+
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| InChIKey |
GLRDPMBWLXNFHJ-SZPZYZBQSA-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