General Information of the Compound
| Compound ID |
CP0281337
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| Compound Name |
N-[(2S)-3-(1-methylcyclohexyl)-1-[[(4S,7R)-7-methyl-3-oxo-1-(pyridine-2-carbonyl)azepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C28H36N4O5
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| Molecular Weight |
508.619
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| Canonical SMILES |
C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1
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| InChI |
InChI=1S/C28H36N4O5/c1-19-11-12-20(23(33)18-32(19)27(36)21-9-4-7-15-29-21)30-25(34)22(17-28(2)13-5-3-6-14-28)31-26(35)24-10-8-16-37-24/h4,7-10,15-16,19-20,22H,3,5-6,11-14,17-18H2,1-2H3,(H,30,34)(H,31,35)/t19-,20+,22+/m1/s1
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| InChIKey |
POPLFVJHDAWIDM-URVUXULASA-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