General Information of the Compound
| Compound ID |
CP0575289
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| Compound Name |
(3S,6S)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-6-propan-2-ylpiperazine-2,5-dione
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| Structure |
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| Formula |
C22H33N3O3
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| Molecular Weight |
387.524
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| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCN3CCCCC3)cc2)NC1=O
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| InChI |
InChI=1S/C22H33N3O3/c1-16(2)20-22(27)23-19(21(26)24-20)15-17-7-9-18(10-8-17)28-14-6-13-25-11-4-3-5-12-25/h7-10,16,19-20H,3-6,11-15H2,1-2H3,(H,23,27)(H,24,26)/t19-,20-/m0/s1
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| InChIKey |
QZTUJGCANKVFKG-PMACEKPBSA-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