General Information of the Compound
| Compound ID |
CP0848733
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| Compound Name |
Phalloidin
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| Structure |
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| Formula |
C34H46N8O11S
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| Molecular Weight |
774.854
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](CSc3[nH]c4ccccc4c32)NC(=O)[C@H]([C@@H](C)O)NC1=O
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| InChI |
InChI=1S/C34H46N8O11S/c1-14-26(46)40-24(16(3)44)30(50)38-21-12-54-32-23(18-7-5-6-8-19(18)39-32)25(31(51)37-20(28(48)35-14)10-34(4,53)13-43)41-27(47)15(2)36-29(49)22-9-17(45)11-42(22)33(21)52/h5-8,14-17,20-22,24-25,39,43-45,53H,9-13H2,1-4H3,(H,35,48)(H,36,49)(H,37,51)(H,38,50)(H,40,46)(H,41,47)/t14-,15-,16+,17-,20-,21+,22-,24-,25-,34+/m0/s1
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| InChIKey |
MWJMKONRVQLRKE-UGZLBJHLSA-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