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ARH : Summary
Code
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ARH
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One-letter code
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X
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Molecule name
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3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE
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Systematic names
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Formula
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C19 H18 N2 O3
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Formal charge
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0
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Molecular weight
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322.358 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C3c2n(c(c1ccccc1)c(c2C(=O)C(=C3)N4C(C4)C)CO)C |
SMILES
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CACTVS |
3.341 |
C[CH]1CN1C2=CC(=O)c3n(C)c(c4ccccc4)c(CO)c3C2=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1CN1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H]1CN1C2=CC(=O)c3n(C)c(c4ccccc4)c(CO)c3C2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O |
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IUPAC InChI | InChI=1S/C19H18N2O3/c1-11-9-21(11)14-8-15(23)18-16(19(14)24)13(10-22)17(20(18)2)12-6-4-3-5-7-12/h3-8,11,22H,9-10H2,1-2H3/t11-,21+/m1/s1 |
IUPAC InChI key | RQFCSAVLOHDQNB-FIKIJFGZSA-N |
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wwPDB Information |
Atom count
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42 (24 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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2001-06-08
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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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