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E2L

Summary
Name:2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine
Formula:C20 H23 Cl N2 O
Formal charge:0
Formula weight:342.862 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1
InChIKeyInChI1.03WQNGMCVEBYRHCN-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2Oc3ccccc3N(CCC[C@@H]4CCCNC4)c2c1
SMILESCACTVS3.385Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCCC4CCCNC4

218500

PDB entries from 2024-04-17

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