Cadisegliatin
2-[[2-[[cyclohexyl-(4-propoxycyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
Molecular Identity
Cadisegliatin
2-[[2-[[cyclohexyl-(4-propoxycyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
PubChem CID: 54673176
2D Structure
Properties
C21H33N3O4S2
Molecular Formula
455.60
Molecular Weight
g/mol
455.1912
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
145
TPSA
May have limited oral absorption
2
H-Bond Donors
7
H-Bond Acceptors
554
Complexity
SMILES
Canonical SMILES
SMILES: CCCOC1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)SCC(=O)OIsomeric SMILES
SMILES: CCCOC1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)SCC(=O)OSynonyms(20)
Cadisegliatin859525-02-3TTP399Cadisegliatin [USAN]98S8SH8UNFNN9108NNC 80-3315TTP-00223399TTP-399UNII-98S8SH8UNFNNC 0080-0000-3315WHO 12146NN-9108Cadisegliatin (USAN){2-[3-cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cadisegliatin
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