General Information of the Compound
| Compound ID |
CP0945225
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| Compound Name |
4-Deoxy-4alpha-Phorbol 12,13-didecanoate
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| Structure |
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| Formula |
C40H64O7
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| Molecular Weight |
656.945
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| Canonical SMILES |
CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC
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| InChI |
InChI=1S/C40H64O7/c1-7-9-11-13-15-17-19-21-33(42)46-37-28(4)39(45)31-23-27(3)35(44)30(31)24-29(26-41)25-32(39)36-38(5,6)40(36,37)47-34(43)22-20-18-16-14-12-10-8-2/h23,25,28,30-32,36-37,41,45H,7-22,24,26H2,1-6H3/t28-,30-,31-,32+,36-,37-,39+,40-/m1/s1
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| InChIKey |
UPYTZZZLHBKNFL-VSYGCSOMSA-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