General Information of the Compound
| Compound ID |
CP0221613
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[3-fluoro-5-(1,3-thiazol-2-yl)phenyl]-3-hydroxybutan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C32H41FN4O4S
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| Molecular Weight |
596.769
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1cc(F)cc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C32H41FN4O4S/c1-31(2,3)15-21-12-24-26(16-32(6-5-7-32)41-29(24)36-17-21)35-18-27(38)25(37-28(39)19-40-4)13-20-10-22(14-23(33)11-20)30-34-8-9-42-30/h8-12,14,17,25-27,35,38H,5-7,13,15-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1
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| InChIKey |
JBBUENLSUWMDMI-GMQQYTKMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound