General Information of the Compound
| Compound ID |
CP0393507
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| Compound Name |
(2S,3R)-N'-[(3S)-1-[[3-(4-methoxyanilino)phenyl]methyl]-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-propylbutanediamide
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| Structure |
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| Formula |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(OC)cc3)c2)C1=O)C(N)=O
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| InChI |
InChI=1S/C31H44N4O4/c1-5-9-26(29(32)36)27(18-21(2)3)30(37)34-28-12-6-7-17-35(31(28)38)20-22-10-8-11-24(19-22)33-23-13-15-25(39-4)16-14-23/h8,10-11,13-16,19,21,26-28,33H,5-7,9,12,17-18,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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| InChIKey |
XWSQQWFCGXQTQO-IARZGTGTSA-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