General Information of the Compound
| Compound ID |
CP0076794
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| Compound Name |
US10028961, Compound 101
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| Synonyms |
1644545-52-7
6-(6-chloropyridin-2-yl)-N2,N4-bis((R)-1,1,1-trifluoro propan-2-yl)-1,3,5-triazine-2,4-diamine
6-(6-chloropyridin-2-yl)-N2,N4-bis((R)-1,1,1-trifluoroprop
6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
789Q85GA8P
9UO
AG 881
AG 881 [WHO-DD]
AG-881
AG881
BDBM279948
CS-8033
EX-A2574
HY-104042
QCZAWDGAVJMPTA-RNFRBKRXSA-N
SCHEMBL16393139
UNII-789Q85GA8P
US10028961, Compound 101
Vorasidenib
Vorasidenib (AG-881)
Vorasidenib [INN]
s8611
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| Structure |
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| Formula |
C14H13ClF6N6
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| Molecular Weight |
414.741
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
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| InChI |
InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
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| InChIKey |
QCZAWDGAVJMPTA-RNFRBKRXSA-N
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| CAS |
1644545-52-7
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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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial
Clinical Information about the Compound