General Information of the Compound
| Compound ID |
CP0542892
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| Compound Name |
(2S,4S)-Piperidine-1,2,4-tricarboxylic acid 2-({2-[carbamoylmethyl-(2-methoxy-benzyl)-amino]-ethyl}-amide) 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C42H58N6O5
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| Molecular Weight |
726.963
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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)c1ccccc1
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| InChI |
InChI=1S/C42H58N6O5/c1-4-6-16-26-46(27-17-7-5-2)41(51)33-24-28-47(42(52)48(35-19-10-8-11-20-35)36-21-12-9-13-22-36)37(30-33)40(50)44-25-29-45(32-39(43)49)31-34-18-14-15-23-38(34)53-3/h8-15,18-23,33,37H,4-7,16-17,24-32H2,1-3H3,(H2,43,49)(H,44,50)/t33-,37-/m0/s1
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| InChIKey |
FMUYAOWYCYBIIW-WNOXWKSXSA-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