General Information of the Compound
| Compound ID |
CP0515428
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| Compound Name |
US9428460, 14
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| Formula |
C23H22BrFN2O2
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| Molecular Weight |
457.343
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| Canonical SMILES |
Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12
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| InChI |
InChI=1S/C23H22BrFN2O2/c1-14-5-6-15(13-20(14)25)23(28)27-16-7-9-17(10-8-16)29-21-11-12-26-22-18(21)3-2-4-19(22)24/h2-6,11-13,16-17H,7-10H2,1H3,(H,27,28)/t16-,17-
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| InChIKey |
TXAJNMWASBAMLU-QAQDUYKDSA-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