
API0232144
Ixabepilone
Ivosidenib is an anticancer drug (IDH1 inhibitor).
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CAS No.
219989-84-1
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Synonyms
Ixabepilone; 219989-84-1; Azaepothilone B
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CHEMBL ID
CHEMBL1201752
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Indications
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Molecule Type
Small molecule
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Compound CID
6445540
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Molecular Weight (g/mol)
506.7
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Molecular Formula
C27H42N2O5S
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InChI
InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
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InChIKey
FABUFPQFXZVHFB-PVYNADRNSA-N
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SMILES
C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C
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IUPAC Name
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
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Exact Mass (Da)
506.28144362
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Monoisotopic Mass (Da)
506.28144362
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