General Information of the Compound
| Compound ID |
CP0087525
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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-2-enylphenyl)butan-2-yl]hex-5-enamide
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| Structure |
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| Formula |
C35H49N3O3
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| Molecular Weight |
559.795
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| Canonical SMILES |
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)CCCC=C)c2c1
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| InChI |
InChI=1S/C35H49N3O3/c1-6-8-9-15-32(40)38-29(20-26-14-10-13-25(18-26)12-7-2)31(39)24-36-30-22-35(16-11-17-35)41-33-28(30)19-27(23-37-33)21-34(3,4)5/h6-7,10,13-14,18-19,23,29-31,36,39H,1-2,8-9,11-12,15-17,20-22,24H2,3-5H3,(H,38,40)/t29-,30-,31+/m0/s1
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| InChIKey |
FMERUWXQZUKUAL-RWSKJCERSA-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