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- ChemComp-UDK: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl... -

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Basic information

EntryDatabase: PDB chemical components / ID: UDK
NameName: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide
Synonyms: ~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

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Chemical information

Composition
Formula: C25H36N6O2 / Number of atoms: 69 / Formula weight: 452.592 / Formal charge: 0
Others

7nhh

Type: non-polymer / PDB classification: HETAIN / Three letter code: UDK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NHH
History
Create componentFeb 10, 2021
Modify synonymsFeb 11, 2021
Initial releaseOct 20, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2
OpenEye OEToolkits 2.0.7CC1CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NC)O

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SMILES CANONICAL

CACTVS 3.385CNc1cc(ncn1)N2CCC[C@@](O)(CNC(=O)c3ccc(CN4CCC(C)CC4)cc3)C2
OpenEye OEToolkits 2.0.7CC1CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O

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InChI

InChI 1.03InChI=1S/C25H36N6O2/c1-19-8-12-30(13-9-19)15-20-4-6-21(7-5-20)24(32)27-16-25(33)10-3-11-31(17-25)23-14-22(26-2)28-18-29-23/h4-7,14,18-19,33H,3,8-13,15-17H2,1-2H3,(H,27,32)(H,26,28,29)/t25-/m1/s1

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InChIKey

InChI 1.03WWAIRFCQIINAHC-RUZDIDTESA-N

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PDB entries

Showing all 1 items

PDB-7nhh:
Crystal structure of the human METTL3-METTL14 complex with compound UOZ002

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