General Information of the Compound
| Compound ID |
CP0403566
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 1-[(3-chloro-phenyl)-phenyl-amide] 2-[(3-diethylamino-propyl)-amide] 4-dipentylamide
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| Structure |
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| Formula |
C36H55ClN6O3
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| Molecular Weight |
655.328
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCCN(CC)CC)C(=O)N(c1ccccc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C36H55ClN6O3/c1-5-9-14-24-40(25-15-10-6-2)35(45)41-26-27-42(33(29-41)34(44)38-22-17-23-39(7-3)8-4)36(46)43(31-19-12-11-13-20-31)32-21-16-18-30(37)28-32/h11-13,16,18-21,28,33H,5-10,14-15,17,22-27,29H2,1-4H3,(H,38,44)/t33-/m0/s1
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| InChIKey |
XRSLJIPNGLZJND-XIFFEERXSA-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