General Information of the Compound
| Compound ID |
CP0455699
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 4-dipentylamide 1-diphenylamide 2-[(2-methoxy-ethyl)-amide]
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| Structure |
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| Formula |
C32H47N5O4
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| Molecular Weight |
565.759
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCOC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H47N5O4/c1-4-6-14-21-34(22-15-7-5-2)31(39)35-23-24-36(29(26-35)30(38)33-20-25-41-3)32(40)37(27-16-10-8-11-17-27)28-18-12-9-13-19-28/h8-13,16-19,29H,4-7,14-15,20-26H2,1-3H3,(H,33,38)/t29-/m0/s1
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| InChIKey |
NQMMZCMDBZCRBB-LJAQVGFWSA-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