General Information of the Compound
| Compound ID |
CP0512568
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| Compound Name |
[(1R,2R)-2-(2-butoxy-5-chlorophenyl)cyclopropyl]methanamine;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C16H21ClF3NO3
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| Molecular Weight |
367.795
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN
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| InChI |
InChI=1S/C14H20ClNO.C2HF3O2/c1-2-3-6-17-14-5-4-11(15)8-13(14)12-7-10(12)9-16;3-2(4,5)1(6)7/h4-5,8,10,12H,2-3,6-7,9,16H2,1H3;(H,6,7)/t10-,12+;/m0./s1
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| InChIKey |
HAXZYNFZRUJQBN-XOZOLZJESA-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