General Information of the Compound
| Compound ID |
CP0487379
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| Compound Name |
tert-butyl N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamate
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| Structure |
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| Formula |
C23H36N2O4S
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| Molecular Weight |
436.618
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| Canonical SMILES |
COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C23H36N2O4S/c1-23(2,3)29-22(27)25-20(16-30-15-18-8-6-5-7-9-18)21(26)24-14-17-10-12-19(28-4)13-11-17/h10-13,18,20H,5-9,14-16H2,1-4H3,(H,24,26)(H,25,27)/t20-/m0/s1
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| InChIKey |
GGTWJXMDTHBWEV-FQEVSTJZSA-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