General Information of the Compound
| Compound ID |
CP0120475
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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-prop-1-ynylphenyl)butan-2-yl]-2-methoxyacetamide
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| Structure |
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| Formula |
C32H43N3O4
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| Molecular Weight |
533.713
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| Canonical SMILES |
COCC(=O)N[C@@H](Cc1cccc(c1)C#CC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C32H43N3O4/c1-6-9-22-10-7-11-23(14-22)16-26(35-29(37)21-38-5)28(36)20-33-27-18-32(12-8-13-32)39-30-25(27)15-24(19-34-30)17-31(2,3)4/h7,10-11,14-15,19,26-28,33,36H,8,12-13,16-18,20-21H2,1-5H3,(H,35,37)/t26-,27-,28+/m0/s1
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| InChIKey |
ODTHBEGKDAPUFY-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