Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6AG2Q
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| Binder Name |
Dimethyl 2-[[(4S)-5-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]-4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5-oxopentanoyl]amino]butanedioate
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| Synonyms |
CHEMBL451393; BDBM50267680; (S,E)-2-[3-(3,4-Dimethoxyphenyl)acrylamido]-N1,N5-[(R)-1,4-dimethoxy-1,4-dioxobutan]pentanediamide
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C28H37N3O13
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| Canonical SMILES |
COC1=C(C=C(C=C1)/C=C/C(=O)N[C@@H](CCC(=O)NC(CC(=O)OC)C(=O)OC)C(=O)NC(CC(=O)OC)C(=O)OC)OC
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| InChI |
1S/C28H37N3O13/c1-39-20-10-7-16(13-21(20)40-2)8-11-22(32)29-17(26(36)31-19(28(38)44-6)15-25(35)42-4)9-12-23(33)30-18(27(37)43-5)14-24(34)41-3/h7-8,10-11,13,17-19H,9,12,14-15H2,1-6H3,(H,29,32)(H,30,33)(H,31,36)/b11-8+/t17-,18?,19?/m0/s1
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| InChIKey |
KZGHOBSGUMPHLC-WLQAAXPGSA-N
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| PubChem Compound ID | ||||
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