General Information of the Compound
| Compound ID |
CP0574207
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| Compound Name |
(3S,6S)-3-methyl-6-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-2,5-dione
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| Structure |
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| Formula |
C20H29N3O3
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| Molecular Weight |
359.47
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCN3CCCCC3)cc2)NC1=O
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| InChI |
InChI=1S/C20H29N3O3/c1-15-19(24)22-18(20(25)21-15)14-16-6-8-17(9-7-16)26-13-5-12-23-10-3-2-4-11-23/h6-9,15,18H,2-5,10-14H2,1H3,(H,21,25)(H,22,24)/t15-,18-/m0/s1
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| InChIKey |
KBYNFVLATOLAJT-YJBOKZPZSA-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