General Information of the Compound
| Compound ID |
CP0156935
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-(3-prop-2-enylphenyl)butan-2-yl]-6-oxo-1-prop-2-enyl-5-pyridin-2-ylpyridine-3-carboxamide
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| Structure |
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| Formula |
C41H46N4O4
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| Molecular Weight |
658.843
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| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)c3cc(-c4ccccn4)c(=O)n(CC=C)c3)c2c1
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| InChI |
InChI=1S/C41H46N4O4/c1-4-11-29-12-9-13-30(21-29)23-35(44-39(47)31-24-33(34-14-7-8-19-42-34)40(48)45(27-31)20-5-2)37(46)26-43-36-25-41(17-10-18-41)49-38-16-15-28(6-3)22-32(36)38/h4-5,7-9,12-16,19,21-22,24,27,35-37,43,46H,1-2,6,10-11,17-18,20,23,25-26H2,3H3,(H,44,47)/t35-,36-,37+/m0/s1
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| InChIKey |
IFYMCHZGKHNAPX-AGSXMJPOSA-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