Details of the Drug

General Information of Drug (ID: DMFAV5R)

Drug Name

2-tert-Butyldimethylsilyloxylycorine

Synonyms

2-tert-Butyldimethylsilyloxylycorine; CHEMBL558873; SCHEMBL12270994; BDBM50293600

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

401.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C22H31NO4Si
IUPAC Name: (1S,17S,18S,19S)-17-[tert-butyl(dimethyl)silyl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-ol
Canonical SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)C4=CC5=C(C=C4C3)OCO5
InChI: InChI=1S/C22H31NO4Si/c1-22(2,3)28(4,5)27-18-8-13-6-7-23-11-14-9-16-17(26-12-25-16)10-15(14)19(20(13)23)21(18)24/h8-10,18-21,24H,6-7,11-12H2,1-5H3/t18-,19-,20+,21+/m0/s1
InChIKey: RLYPONLPAHPYMG-UWHLTILDSA-N