Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8D2BH
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| Ligand Name |
4-Amino-20,22-Dimethyl-13-Oxa-7-Thia-3,5,17-Triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-Nonaen-18-One
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| Synonyms |
CHEMBL1939374; 4-Amino-20,22-Dimethyl-13-Oxa-7-Thia-3,5,17-Triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-Nonaen-18-One; 3vhc; SCHEMBL13411843; BDBM50362231; Q27467059; VHC
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| Structure |
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Download2D MOL |
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| Formula |
C22H22N4O2S
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| Canonical SMILES |
CC1=CC(=C2C=C1C3=CC(=NC(=N3)N)SC4=CC=CC(=C4)OCCCNC2=O)C
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| InChI |
1S/C22H22N4O2S/c1-13-9-14(2)18-11-17(13)19-12-20(26-22(23)25-19)29-16-6-3-5-15(10-16)28-8-4-7-24-21(18)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26)
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| InChIKey |
HDKDXSZAJVZYLD-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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