General Information of the Compound
| Compound ID |
CP0118640
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-chlorospiro[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 |
C23H28ClN3O3
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| Molecular Weight |
429.948
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc12
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| InChI |
InChI=1S/C23H28ClN3O3/c1-15(28)27-19(10-16-6-3-2-4-7-16)21(29)14-25-20-12-23(8-5-9-23)30-22-18(20)11-17(24)13-26-22/h2-4,6-7,11,13,19-21,25,29H,5,8-10,12,14H2,1H3,(H,27,28)/t19-,20-,21+/m0/s1
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| InChIKey |
GAJBSPCTRUBDAK-PCCBWWKXSA-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