General Information of the Compound
| Compound ID |
CP0521936
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-diisopropylamino-ethyl)-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C37H58N6O3
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| Molecular Weight |
634.91
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(C(C)C)C(C)C)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C37H58N6O3/c1-7-9-17-24-39(25-18-10-8-2)36(45)40-27-28-42(34(29-40)35(44)38-23-26-41(30(3)4)31(5)6)37(46)43(32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-16,19-22,30-31,34H,7-10,17-18,23-29H2,1-6H3,(H,38,44)/t34-/m0/s1
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| InChIKey |
BSSJFXMTCJBDKV-UMSFTDKQSA-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