General Information of the Compound
| Compound ID |
CP0568800
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| Compound Name |
(3S,6Z)-3-benzyl-6-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]piperazine-2,5-dione
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
O=C1N\C(=C/c2ccc(OCCCN3CCCCC3)cc2)C(=O)N[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C26H31N3O3/c30-25-23(18-20-8-3-1-4-9-20)27-26(31)24(28-25)19-21-10-12-22(13-11-21)32-17-7-16-29-14-5-2-6-15-29/h1,3-4,8-13,19,23H,2,5-7,14-18H2,(H,27,31)(H,28,30)/b24-19-/t23-/m0/s1
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| InChIKey |
VOBMKCHPSURRFP-PMKMQUDQSA-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