General Information of the Compound
| Compound ID |
CP0576922
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| Compound Name |
(3Z,6S)-1-acetyl-6-benzyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]piperazine-2,5-dione
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CC(=O)N1[C@@H](Cc2ccccc2)C(=O)N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C1=O
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| InChI |
InChI=1S/C28H33N3O4/c1-21(32)31-26(20-22-9-4-2-5-10-22)27(33)29-25(28(31)34)19-23-11-13-24(14-12-23)35-18-8-17-30-15-6-3-7-16-30/h2,4-5,9-14,19,26H,3,6-8,15-18,20H2,1H3,(H,29,33)/b25-19-/t26-/m0/s1
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| InChIKey |
JJUYNXVKDVJCSA-RXSCDKOLSA-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