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PDBeChem : Molecule Descriptors
Molecule : KMM
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H24F3N3/c1-12-9-14(24-17(23)10-12)6-7-15-18(21)13(5-4-8-25(2)3)11-16(20)19(15)22/h9-11H,4-8H2,1-3H3,(H2,23,24) |
2 |
InChIKey
|
InChI |
1.03 |
ZAJCMGYRPZNQGR-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c2F)F)F |
4 |
SMILES
|
CACTVS |
3.385 |
CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1F |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F |
|