General Information of the Compound
| Compound ID |
CP0466538
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| Compound Name |
Spirotramine
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| Structure |
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| Formula |
C60H82N4O6
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| Molecular Weight |
955.338
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| Canonical SMILES |
CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C60H82N4O6/c1-61(43-25-7-9-27-45-63-47-37-57(38-48-63)67-55(65)59(69-57,51-29-15-11-16-30-51)52-31-17-12-18-32-52)41-23-5-3-4-6-24-42-62(2)44-26-8-10-28-46-64-49-39-58(40-50-64)68-56(66)60(70-58,53-33-19-13-20-34-53)54-35-21-14-22-36-54/h11-22,29-36H,3-10,23-28,37-50H2,1-2H3
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| InChIKey |
VWEQLDJRUYNWOE-UHFFFAOYSA-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