General Information of the Compound
| Compound ID |
CP0248739
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CCc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1
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| InChI |
InChI=1S/C25H33N3O3/c1-3-18-12-20-22(14-25(10-7-11-25)31-24(20)27-15-18)26-16-23(30)21(28-17(2)29)13-19-8-5-4-6-9-19/h4-6,8-9,12,15,21-23,26,30H,3,7,10-11,13-14,16H2,1-2H3,(H,28,29)/t21-,22-,23+/m0/s1
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| InChIKey |
MVNAHFXMFHZPRR-RJGXRXQPSA-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