General Information of the Compound
| Compound ID |
CP0243684
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| Compound Name |
US9085576, 384
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| Structure |
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| Formula |
C21H19BrF3N3O
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| Molecular Weight |
466.301
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(Br)ccc23)ccc1F
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| InChI |
InChI=1S/C21H19BrF3N3O/c22-11-2-4-13-10(7-11)1-6-17(13)27-12-3-5-16(23)14(8-12)21(19(24)25)15-9-18(15)29-20(26)28-21/h2-5,7-8,15,17-19,27H,1,6,9H2,(H2,26,28)/t15-,17+,18+,21+/m0/s1
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| InChIKey |
GONJLOPRGIEGPW-NWUWZPLHSA-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