General Information of the Compound
| Compound ID |
CP0088003
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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-(1-methylimidazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C33H45N5O4
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| Molecular Weight |
575.754
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C33H45N5O4/c1-32(2,3)17-23-15-25-27(18-33(10-7-11-33)42-31(25)36-19-23)35-20-28(39)26(37-29(40)21-41-5)16-22-8-6-9-24(14-22)30-34-12-13-38(30)4/h6,8-9,12-15,19,26-28,35,39H,7,10-11,16-18,20-21H2,1-5H3,(H,37,40)/t26-,27-,28+/m0/s1
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| InChIKey |
OWSUWCSVFOZIGR-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