General Information of the Compound
| Compound ID |
CP0566053
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| Compound Name |
(1S,3S,5S)-3-methyl-5-[8-(trifluoromethyl)quinoxalin-5-yl]cyclohexan-1-amine
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| Structure |
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| Formula |
C16H18F3N3
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| Molecular Weight |
309.335
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| Canonical SMILES |
C[C@@H]1C[C@H](N)C[C@H](C1)c1ccc(c2nccnc12)C(F)(F)F
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| InChI |
InChI=1S/C16H18F3N3/c1-9-6-10(8-11(20)7-9)12-2-3-13(16(17,18)19)15-14(12)21-4-5-22-15/h2-5,9-11H,6-8,20H2,1H3/t9-,10-,11-/m0/s1
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| InChIKey |
PMMSLQKCMMBDQW-DCAQKATOSA-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