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- ChemComp-E2C: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: E2C
NameName: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine

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Chemical information

Composition
Formula: C21H27ClN2O / Number of atoms: 52 / Formula weight: 358.905 / Formal charge: 0
Others

6l11

Type: non-polymer / PDB classification: HETAIN / Three letter code: E2C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6L11
History
Create componentOct 2, 2019
Initial releaseMay 27, 2020
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13
OpenEye OEToolkits 2.0.7CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl

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SMILES CANONICAL

CACTVS 3.385CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13
OpenEye OEToolkits 2.0.7CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl

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InChI

InChI 1.03InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3

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InChIKey

InChI 1.03UVWATVYWPWOHHD-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6l11:
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives

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