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3LP

Summary
Name:1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL
Formula:C22 H32 N2 O
Formal charge:0
Formula weight:340.502 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)propan-2-ol
OpenEye OEToolkits1.5.0(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(CNC1CCCCC1)Cn2c4c(c3c2CCCC3)cc(cc4)C
SMILES_CANONICALCACTVS3.341Cc1ccc2n(C[C@@H](O)CNC3CCCCC3)c4CCCCc4c2c1
SMILESCACTVS3.341Cc1ccc2n(C[CH](O)CNC3CCCCC3)c4CCCCc4c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc2c(c1)c3c(n2C[C@H](CNC4CCCCC4)O)CCCC3
SMILESOpenEye OEToolkits1.5.0Cc1ccc2c(c1)c3c(n2CC(CNC4CCCCC4)O)CCCC3
InChIInChI1.03InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
InChIKeyInChI1.03AXYFCRIRLKSCRR-SFHVURJKSA-N

222415

數據於2024-07-10公開中

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