General Information of the Compound
| Compound ID |
CP0496748
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| Compound Name |
benzyl N-(2-amino-2-oxoethyl)-N-[2-[[(2S,4S)-1-[(3-chlorophenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperidine-2-carbonyl]amino]ethyl]carbamate
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| Structure |
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| Formula |
C42H55ClN6O6
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| Molecular Weight |
775.391
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)[C@H]1CCN([C@@H](C1)C(=O)NCCN(CC(N)=O)C(=O)OCc1ccccc1)C(=O)N(c1ccccc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C42H55ClN6O6/c1-3-5-13-24-46(25-14-6-4-2)40(52)33-22-26-48(41(53)49(35-19-11-8-12-20-35)36-21-15-18-34(43)29-36)37(28-33)39(51)45-23-27-47(30-38(44)50)42(54)55-31-32-16-9-7-10-17-32/h7-12,15-21,29,33,37H,3-6,13-14,22-28,30-31H2,1-2H3,(H2,44,50)(H,45,51)/t33-,37-/m0/s1
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| InChIKey |
DGQXYBVOJPZERV-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