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GIK : Summary
Code
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GIK
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One-letter code
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X
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Molecule name
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~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide
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Systematic names
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Formula
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C21 H23 Cl N4 O2
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Formal charge
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0
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Molecular weight
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398.886 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)N[CH]1CC[CH](CC1)Oc2cc(cc3[nH]nc(C)c23)c4ccncc4Cl |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c2c(cc(cc2OC3CCC(CC3)NC(=O)C)c4ccncc4Cl)[nH]n1 |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N[C@H]1CC[C@@H](CC1)Oc2cc(cc3[nH]nc(C)c23)c4ccncc4Cl |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c2c(cc(cc2OC3CCC(CC3)NC(=O)C)c4ccncc4Cl)[nH]n1 |
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IUPAC InChI | InChI=1S/C21H23ClN4O2/c1-12-21-19(26-25-12)9-14(17-7-8-23-11-18(17)22)10-20(21)28-16-5-3-15(4-6-16)24-13(2)27/h7-11,15-16H,3-6H2,1-2H3,(H,24,27)(H,25,26)/t15-,16- |
IUPAC InChI key | VCIOFIORKGNIFB-WKILWMFISA-N |
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wwPDB Information |
Atom count
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51 (28 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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2022-05-10
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Last modified at
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2023-02-24
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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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