General Information of the Compound
| Compound ID |
CP0856963
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| Compound Name |
2-(tert-butyl) 9-(3-hydroxyphenyl) (1R,5R,9R)-2-azabicyclo[3.3.1]nonane-2,9-dicarboxylate chlorhydrate salt
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| Formula |
C15H20ClNO3
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| Molecular Weight |
297.782
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| Canonical SMILES |
Cl.O=C(Oc1cccc(O)c1)[C@@H]1[C@H]2CCC[C@@H]1NCC2
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| InChI |
InChI=1S/C15H19NO3.ClH/c17-11-4-2-5-12(9-11)19-15(18)14-10-3-1-6-13(14)16-8-7-10;/h2,4-5,9-10,13-14,16-17H,1,3,6-8H2;1H/t10-,13-,14+;/m0./s1
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| InChIKey |
SKMJFZXAYXUNJS-FRHHKCRJSA-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