General Information of the Compound
| Compound ID |
CP0500530
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 1-[(3-chloro-phenyl)-phenyl-amide] 4-dibenzylamide 2-({2-[(2-methoxy-benzyl)-methyl-amino]-ethyl}-amide)
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| Structure |
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| Formula |
C45H48ClN5O4
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| Molecular Weight |
758.363
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| Canonical SMILES |
COc1ccccc1CN(C)CCNC(=O)[C@@H]1C[C@H](CCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C45H48ClN5O4/c1-48(33-37-19-12-13-24-42(37)55-2)28-26-47-43(52)41-29-36(44(53)49(31-34-15-6-3-7-16-34)32-35-17-8-4-9-18-35)25-27-50(41)45(54)51(39-21-10-5-11-22-39)40-23-14-20-38(46)30-40/h3-24,30,36,41H,25-29,31-33H2,1-2H3,(H,47,52)/t36-,41-/m0/s1
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| InChIKey |
WFHGBOZGDUEWEJ-ASVWIKLXSA-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