General Information of the Compound
| Compound ID |
CP0460449
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| Compound Name |
CHEMBL4100691
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| Formula |
C20H18Cl2F3N3O2
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| Molecular Weight |
460.283
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| Canonical SMILES |
O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl
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| InChI |
InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2/t12-,13+
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| InChIKey |
BXDBIBWQAOOKSS-BETUJISGSA-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