General Information of the Compound
| Compound ID |
CP0432558
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| Compound Name |
CHEMBL2024513
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| Formula |
C20H26Cl2F3N3O
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| Molecular Weight |
452.348
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| Canonical SMILES |
FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
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| InChI |
InChI=1S/C20H26Cl2F3N3O/c21-16-2-1-3-17(18(16)22)28-12-10-27(11-13-28)9-8-14-4-6-15(7-5-14)26-19(29)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29)/t14-,15-
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| InChIKey |
JTCQWBUUHDIJSE-SHTZXODSSA-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