can
SAR
Black
canSAR2079814
FEATURES
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NAMES
SMILES
C#CCNc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1C
InChI
InChI=1S/C25H26N4/c1-4-14-26-23-15-20(13-12-17(23)2)24-16-25(28-18(3)27-24)29-22-11-7-9-19-8-5-6-10-21(19)22/h1,5-6,8,10,12-13,15-16,22,26H,7,9,11,14H2,2-3H3,(H,27,28,29)/t22-/m1/s1
MOLECULAR FORMULA
C25H26N4
CROSS REFERENCES
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canSAR2079814
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
382.22
AlogP
5.30
HBond donors
2
HBond acceptors
4
Atoms
55
Contains toxicophore
No
Contains PAINS
No
Commercially available
Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by canSAR2079814.