General Information of the Compound
| Compound ID |
CP0323241
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| Compound Name |
(2S)-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-(1,3-thiazol-2-yl)phenyl]butan-2-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C34H44N4O4S
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| Molecular Weight |
604.817
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| Canonical SMILES |
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@@H]3CCCO3)c2c1
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| InChI |
InChI=1S/C34H44N4O4S/c1-33(2,3)18-23-16-25-27(19-34(10-6-11-34)42-31(25)37-20-23)36-21-28(39)26(38-30(40)29-9-5-13-41-29)17-22-7-4-8-24(15-22)32-35-12-14-43-32/h4,7-8,12,14-16,20,26-29,36,39H,5-6,9-11,13,17-19,21H2,1-3H3,(H,38,40)/t26-,27-,28+,29-/m0/s1
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| InChIKey |
DZIXUQJNRCUJQW-FKWFRFQNSA-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