General Information of the Compound
| Compound ID |
CP0233764
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| Compound Name |
N-[(2S)-4,4-dimethyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C24H32N4O6S
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| Molecular Weight |
504.609
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| Canonical SMILES |
C[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1
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| InChI |
InChI=1S/C24H32N4O6S/c1-16-10-11-17(19(29)15-28(16)35(32,33)21-9-5-6-12-25-21)26-22(30)18(14-24(2,3)4)27-23(31)20-8-7-13-34-20/h5-9,12-13,16-18H,10-11,14-15H2,1-4H3,(H,26,30)(H,27,31)/t16-,17+,18+/m1/s1
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| InChIKey |
LBCGIKORTZAZTM-SQNIBIBYSA-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