General Information of the Compound
| Compound ID |
CP0156929
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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-pyrrolidin-1-ylpyridine-3-carboxamide
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| Structure |
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| Formula |
C40H50N4O4
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| Molecular Weight |
650.864
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| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)c3cc(N4CCCC4)c(=O)n(CC=C)c3)c2c1
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| InChI |
InChI=1S/C40H50N4O4/c1-4-11-29-12-9-13-30(21-29)23-33(42-38(46)31-24-35(43-19-7-8-20-43)39(47)44(27-31)18-5-2)36(45)26-41-34-25-40(16-10-17-40)48-37-15-14-28(6-3)22-32(34)37/h4-5,9,12-15,21-22,24,27,33-34,36,41,45H,1-2,6-8,10-11,16-20,23,25-26H2,3H3,(H,42,46)/t33-,34-,36+/m0/s1
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| InChIKey |
QNIIVMQBRZCEHX-IXQHYERASA-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