Batoprotafib
(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Molecular Identity
Batoprotafib
(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID: 118238370
2D Structure
Properties
C18H24ClN7OS
Molecular Formula
421.90
Molecular Weight
g/mol
421.1452
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
155
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
538
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)NIsomeric SMILES
SMILES: C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)NSynonyms(20)
TNO155batoprotafibTNO-155(3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-aminecompound 1 [PMID: 32910655]Tno 155(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine(3S,4S)-8-(6-Amino-5-((2-amino-3-chloropyridin-4-yl)sulfanyl)pyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro(4.5)decan-4-aminecompound 1 (PMID: 32910655)(3S,4S)-8-(6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl)-3-methyl-2-oxa-8-azaspiro(4.5)decan-4-amineRefChem:1166621801765-04-7FPJWORQEGIPTPN11 inhibitor TNO155SHP2 inhibitor TNO155
Data from PubChem (NCBI)
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