General Information of the Compound
| Compound ID |
CP0397245
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-[(3-diethylamino-propyl)-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C37H57N5O3
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| Molecular Weight |
619.895
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCCN(CC)CC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C37H57N5O3/c1-5-9-17-27-40(28-18-10-6-2)36(44)31-24-29-41(34(30-31)35(43)38-25-19-26-39(7-3)8-4)37(45)42(32-20-13-11-14-21-32)33-22-15-12-16-23-33/h11-16,20-23,31,34H,5-10,17-19,24-30H2,1-4H3,(H,38,43)/t31-,34-/m0/s1
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| InChIKey |
BXUMHQJTHQBGLJ-VBTAUBHQSA-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