General Information of the Compound
| Compound ID |
CP0034962
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| Compound Name |
16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaen-3-one
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| Synonyms |
A 1544750
CEP 701
CEP-701
KT 5555
KT-5555
KT5555
Lestaurtinib
Lestaurtinib (USAN/INN)
SP 924
SPM-924
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| Structure |
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| Formula |
C26H21N3O4
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| Molecular Weight |
439.471
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| Canonical SMILES |
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
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| InChI |
InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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| InChIKey |
UIARLYUEJFELEN-LROUJFHJSA-N
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| CAS |
111358-88-4
156256-78-9
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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: PT06109, Geminin
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT05302, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 32 nM
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LO
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| CL000091 | MV4-11 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2.1 nM
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TI
LI
LO
TS
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Clinical Information about the Compound