General Information of the Compound
| Compound ID |
CP0493994
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| Compound Name |
CHEMBL2152120
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| Formula |
C21H20Cl2F3N3O
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| Molecular Weight |
458.311
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)cnc2c1Cl
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| InChI |
InChI=1S/C21H20Cl2F3N3O/c22-17-9-12(1-6-18(17)28-13-2-4-15(30)5-3-13)16-7-8-29-14(10-21(24,25)26)11-27-20(29)19(16)23/h1,6-9,11,13,15,28,30H,2-5,10H2/t13-,15-
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| InChIKey |
DKNMAFSTNVCRBZ-CTYIDZIISA-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