General Information of the Compound
| Compound ID |
CP0374694
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 1-[(3-chloro-phenyl)-phenyl-amide] 4-dipentylamide 2-({2-[(2-methoxy-benzyl)-methyl-amino]-ethyl}-amide)
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| Structure |
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| Formula |
C41H56ClN5O4
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| Molecular Weight |
718.383
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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)c1cccc(Cl)c1
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| InChI |
InChI=1S/C41H56ClN5O4/c1-5-7-14-25-45(26-15-8-6-2)40(49)32-23-27-46(41(50)47(35-19-10-9-11-20-35)36-21-16-18-34(42)30-36)37(29-32)39(48)43-24-28-44(3)31-33-17-12-13-22-38(33)51-4/h9-13,16-22,30,32,37H,5-8,14-15,23-29,31H2,1-4H3,(H,43,48)/t32-,37-/m0/s1
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| InChIKey |
VRMFBPOHKMSMRD-OCZFFWILSA-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