General Information of the Compound
| Compound ID |
CP0270279
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| Compound Name |
N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-phenylbutan-2-yl]acetamide
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| Structure |
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
CC(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1
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| InChI |
InChI=1S/C27H37N3O3/c1-18(2)12-21-13-22-24(15-27(10-7-11-27)33-26(22)29-16-21)28-17-25(32)23(30-19(3)31)14-20-8-5-4-6-9-20/h4-6,8-9,13,16,18,23-25,28,32H,7,10-12,14-15,17H2,1-3H3,(H,30,31)/t23-,24-,25+/m0/s1
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| InChIKey |
VTQUDYRMABZDOU-CCDWMCETSA-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