General Information of the Compound
| Compound ID |
CP0197279
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| Compound Name |
N-[(2S)-3-(1-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C27H36N4O6S
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| Molecular Weight |
544.674
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| Canonical SMILES |
C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1
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| InChI |
InChI=1S/C27H36N4O6S/c1-19-11-12-20(22(32)18-31(19)38(35,36)24-10-4-7-15-28-24)29-25(33)21(17-27(2)13-5-3-6-14-27)30-26(34)23-9-8-16-37-23/h4,7-10,15-16,19-21H,3,5-6,11-14,17-18H2,1-2H3,(H,29,33)(H,30,34)/t19-,20+,21+/m1/s1
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| InChIKey |
XRICMNUNFOJQLQ-HKBOAZHASA-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