General Information of the Compound
| Compound ID |
CP0674014
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| Compound Name |
1-allyl-N-((2S,3R)-1-(3-allylphenyl)-4-((S)-6-ethylspiro[chroman-2,1'-cyclobutane]-4-ylamino)-3-hydroxybutan-2-yl)-5-bromo-6-oxo-1,6-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C36H42BrN3O4
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| Molecular Weight |
660.653
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| Canonical SMILES |
C=CCc1cccc(C[C@H](NC(=O)c2cc(Br)c(=O)n(CC=C)c2)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ccc(CC)cc32)c1
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| InChI |
InChI=1S/C36H42BrN3O4/c1-4-9-25-10-7-11-26(17-25)19-30(39-34(42)27-20-29(37)35(43)40(23-27)16-5-2)32(41)22-38-31-21-36(14-8-15-36)44-33-13-12-24(6-3)18-28(31)33/h4-5,7,10-13,17-18,20,23,30-32,38,41H,1-2,6,8-9,14-16,19,21-22H2,3H3,(H,39,42)/t30-,31-,32+/m0/s1
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| InChIKey |
PEQBGUDOXPVUBM-OWHBQTKESA-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