General Information of the Compound
| Compound ID |
CP0912149
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| Compound Name |
endo-4-Fluoro-N-((S)-3-(3-(2-methyl-3H-imidazo[4,5-b]pyridin-3-yl)-8-aza-bicyclo[3.2.1]octan-8-yl)-1-(naphthalen-1-yl)propyl)benzamide
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| Formula |
C34H34FN5O
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| Molecular Weight |
547.678
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| Canonical SMILES |
Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc12
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| InChI |
InChI=1S/C34H34FN5O/c1-22-37-32-10-5-18-36-33(32)40(22)28-20-26-15-16-27(21-28)39(26)19-17-31(38-34(41)24-11-13-25(35)14-12-24)30-9-4-7-23-6-2-3-8-29(23)30/h2-14,18,26-28,31H,15-17,19-21H2,1H3,(H,38,41)/t26-,27+,28+,31-/m0/s1
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| InChIKey |
BQDGAJWCSHNVOS-INXMUBLWSA-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