General Information of the Compound
| Compound ID |
CP0489686
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| Compound Name |
Conessine analogue, 12j
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| Structure |
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| Formula |
C25H43N3O2S
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| Molecular Weight |
449.705
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| Canonical SMILES |
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)S(=O)(=O)N(C)C
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| InChI |
InChI=1S/C25H43N3O2S/c1-17-21-9-10-23-20-8-7-18-15-19(28(6)31(29,30)26(3)4)11-13-24(18,2)22(20)12-14-25(21,23)16-27(17)5/h7,17,19-23H,8-16H2,1-6H3/t17-,19-,20+,21+,22-,23-,24-,25-/m0/s1
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| InChIKey |
FCYPHPNRZQRBEL-DPBQVHGISA-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