General Information of the Compound
| Compound ID |
CP0900687
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| Compound Name |
US8614213, 19.107
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| Formula |
C18H21ClF3N5O
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| Molecular Weight |
415.847
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| Canonical SMILES |
Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNc2cc(C(F)(F)F)n[nH]2)CC1
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| InChI |
InChI=1S/C18H21ClF3N5O/c1-10-14(6-12(19)9-23-10)17(28)25-13-4-2-11(3-5-13)8-24-16-7-15(26-27-16)18(20,21)22/h6-7,9,11,13H,2-5,8H2,1H3,(H,25,28)(H2,24,26,27)/t11-,13-
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| InChIKey |
NQMVRTMSNXKYQL-AULYBMBSSA-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