NPC1161B
FEATURES
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NAMES
  • NPC1161B
SMILES
COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1.O=C(O)CCC(=O)O
InChI
InChI=1S/C22H25Cl2N3O2.C4H6O4/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15;5-3(6)1-2-4(7)8/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t14-;/m1./s1
MOLECULAR FORMULA
C26H31Cl2N3O6
CROSS REFERENCES
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NPC1161B
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight551.16
AlogP6.13
HBond donors5
HBond acceptors9
Atoms68
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by NPC1161B.