General Information of the Compound
| Compound ID |
CP0459308
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-({2-[carbamoylmethyl-(2-methoxy-benzyl)-amino]-ethyl}-amide) 1-[(3-chloro-phenyl)-phenyl-amide] 4-dipentylamide
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| Structure |
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| Formula |
C42H57ClN6O5
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| Molecular Weight |
761.408
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(CC(N)=O)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C42H57ClN6O5/c1-4-6-13-24-47(25-14-7-5-2)41(52)32-22-26-48(42(53)49(35-18-9-8-10-19-35)36-20-15-17-34(43)29-36)37(28-32)40(51)45-23-27-46(31-39(44)50)30-33-16-11-12-21-38(33)54-3/h8-12,15-21,29,32,37H,4-7,13-14,22-28,30-31H2,1-3H3,(H2,44,50)(H,45,51)/t32-,37-/m0/s1
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| InChIKey |
UFSLDNNKWKEDNS-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