Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L67BDL
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| Ligand Name |
(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
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| Synonyms |
NPD-001; DNMT3A-IN-2; CHEMBL2326941; MMV690027; (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one; BDBM50427452; HY-136637; HY-150025; CS-0132754; CS-0542677; 3-Cycloheptyl-4abeta,5,8,8abeta-tetrahydro-1-[3-[4-[4-(2H-tetrazole-5-yl)phenoxy]butoxy]-4-methoxyphenyl]phthalazine-4(3H)-one
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| Structure |
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Download2D MOL |
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| Formula |
C33H40N6O4
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| Canonical SMILES |
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCOC5=CC=C(C=C5)C6=NNN=N6
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| InChI |
1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1
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| InChIKey |
DNDNLFXKQSTINI-WUFINQPMSA-N
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| PubChem Compound ID | ||||
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