General Information of the Compound
| Compound ID |
CP0541040
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| Compound Name |
(+)-Madindoline A
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| Structure |
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| Formula |
C22H27NO4
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| Molecular Weight |
369.461
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| Canonical SMILES |
CCCCC1=C(C)C(=O)[C@@](C)(CN2[C@H]3OCC[C@@]3(O)c3ccccc23)C1=O
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| InChI |
InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20-,21+,22+/m0/s1
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| InChIKey |
XPVQXXLKOCZMGG-BHDDXSALSA-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