General Information of the Compound
| Compound ID |
CP0449199
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| Compound Name |
(2S,4R)-Piperidine-1,2,4-tricarboxylic acid 4-dipentylamide 1-diphenylamide 2-({2-[(2-methoxy-benzyl)-methyl-amino]-ethyl}-amide)
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| Structure |
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| Formula |
C41H57N5O4
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| Molecular Weight |
683.938
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@@H]1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C41H57N5O4/c1-5-7-17-27-44(28-18-8-6-2)40(48)33-25-29-45(41(49)46(35-20-11-9-12-21-35)36-22-13-10-14-23-36)37(31-33)39(47)42-26-30-43(3)32-34-19-15-16-24-38(34)50-4/h9-16,19-24,33,37H,5-8,17-18,25-32H2,1-4H3,(H,42,47)/t33-,37+/m1/s1
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| InChIKey |
PYMQWQVPOYGEIM-GOJCVTOHSA-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