General Information of the Compound
| Compound ID |
CP0167015
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| Compound Name |
IROFULVEN
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| Synonyms |
E7850
Irofulven
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| Structure |
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| Formula |
C15H18O3
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| Molecular Weight |
246.306
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| Canonical SMILES |
CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
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| InChI |
InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1
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| InChIKey |
NICJCIQSJJKZAH-AWEZNQCLSA-N
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| CAS |
158440-71-2
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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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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound