General Information of the Compound
| Compound ID |
CP0267135
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| Compound Name |
US10640534, Compound 176
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| Synonyms |
1448347-49-6 (Ivosidenib)
AKOS028113340
AS-35058
CS-5122
EX-A992
GTPL9217
HY-18767
Ivosidenib
Ivosidenib [INN]
Ivosidenib [USAN]
Ivosidenib [WHO-DD]
MolPort-044-560-317
Q2PCN8MAM6
RG120
SCHEMBL15122512
UNII-Q2PCN8MAM6
ZINC205136523
s8206
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| Structure |
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| Formula |
C28H22ClF3N6O3
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| Molecular Weight |
582.97
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| Canonical SMILES |
Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N
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| InChI |
InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1
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| InChIKey |
WIJZXSAJMHAVGX-DHLKQENFSA-N
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| CAS |
1448347-49-6
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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
Clinical Information about the Compound