General Information of the Compound
| Compound ID |
CP0315685
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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]-3-hydroxy-1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C33H44N4O4S
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| Molecular Weight |
592.806
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C33H44N4O4S/c1-21-20-42-31(36-21)24-9-6-8-22(12-24)14-26(37-29(39)19-40-5)28(38)18-34-27-16-33(10-7-11-33)41-30-25(27)13-23(17-35-30)15-32(2,3)4/h6,8-9,12-13,17,20,26-28,34,38H,7,10-11,14-16,18-19H2,1-5H3,(H,37,39)/t26-,27-,28+/m0/s1
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| InChIKey |
IBQBCHBBSWVJOQ-HZFUHODCSA-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