General Information of the Compound
| Compound ID |
CP0031589
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| Compound Name |
Gilteritinib
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| Synonyms |
3694AH
66D92MGC8M
AKOS030234455
AS-35199
BDBM144315
C29H44N8O3
CS-3885
DB12141
GTPL8708
Gilteritinib
Gilteritinib (ASP-2215)
Gilteritinib (ASP2215)
Gilteritinib (USAN/INN)
Gilteritinib [USAN:INN]
Gilteritinib(ASP2215)
KS-0000064E
MolPort-038-934-933
SCHEMBL282229
UNII-66D92MGC8M
ZINC113476229
s7754
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| Structure |
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| Formula |
C29H44N8O3
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| Molecular Weight |
552.724
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| Canonical SMILES |
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
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| InChI |
InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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| InChIKey |
GYQYAJJFPNQOOW-UHFFFAOYSA-N
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| CAS |
1254053-43-4
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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