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PDQ

Summary
Name:3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione
Formula:C18 H24 F N5 O2
Formal charge:0
Formula weight:361.414 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione
OpenEye OEToolkits1.7.03-azanyl-7-[(3R)-3-[(1S)-1-azanylethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1cc(F)c(c(c1N(C(=O)N2N)C3CC3)C)N4CCC(C(N)C)C4
SMILES_CANONICALCACTVS3.370C[C@H](N)[C@@H]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=O)c3cc2F
SMILESCACTVS3.370C[CH](N)[CH]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=O)c3cc2F
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N
SMILESOpenEye OEToolkits1.7.0Cc1c2c(cc(c1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4)N
InChIInChI1.03InChI=1S/C18H24FN5O2/c1-9-15-13(17(25)24(21)18(26)23(15)12-3-4-12)7-14(19)16(9)22-6-5-11(8-22)10(2)20/h7,10-12H,3-6,8,20-21H2,1-2H3/t10-,11+/m0/s1
InChIKeyInChI1.03SMONLCFJGCJROJ-WDEREUQCSA-N

222415

數據於2024-07-10公開中

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