General Information of the Compound
| Compound ID |
CP0914952
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| Compound Name |
endo-2-(8-(bis(2-chlorophenyl)methyl)-3-carbamoyl-8-azabicyclo[3.2.1]octan-3-yl)-5-fluoroisonicotinic acid
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| Formula |
C27H24Cl2FN3O3
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| Molecular Weight |
528.411
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| Canonical SMILES |
NC(=O)[C@]1(c2cc(C(=O)O)c(F)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C27H24Cl2FN3O3/c28-20-7-3-1-5-17(20)24(18-6-2-4-8-21(18)29)33-15-9-10-16(33)13-27(12-15,26(31)36)23-11-19(25(34)35)22(30)14-32-23/h1-8,11,14-16,24H,9-10,12-13H2,(H2,31,36)(H,34,35)/t15-,16+,27-
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| InChIKey |
BZDGXSLJPOLSJO-BJFLIPCPSA-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