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230 : Summary
Code
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230
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One-letter code
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X
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Molecule name
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(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE
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Systematic names
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Formula
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C24 H22 Cl F N4 O4
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Formal charge
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0
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Molecular weight
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484.907 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc1ccc(cc1)NC(=O)N2CC(OC)CC2C(=O)Nc3c(F)cc(cc3)N4C=CC=CC4=O |
SMILES
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CACTVS |
3.341 |
CO[CH]1C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
COC1CC(N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
Canonical SMILES
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CACTVS |
3.341 |
CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O |
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IUPAC InChI | InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1 |
IUPAC InChI key | QQBKAVAGLMGMHI-WIYYLYMNSA-N |
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wwPDB Information |
Atom count
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56 (34 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-04-26
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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