General Information of the Compound
| Compound ID |
CP0204332
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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-(4-ethynylphenyl)-3-hydroxybutan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C31H41N3O4
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| Molecular Weight |
519.686
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C31H41N3O4/c1-6-21-8-10-22(11-9-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(12-7-13-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,8-11,14,18,25-27,32,35H,7,12-13,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/m0/s1
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| InChIKey |
FUDKQBKYDLVSHY-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