General Information of the Compound
| Compound ID |
CP0363571
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| Compound Name |
(2S)-N'-tert-butyl-N-[(2S)-1-[(4-fluoronaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide
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| Formula |
C30H37FN4O5S
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| Molecular Weight |
584.714
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccc(F)c2ccccc12
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| InChI |
InChI=1S/C30H37FN4O5S/c1-19-10-13-22(14-11-19)41(39,40)35-26(16-17-27(36)34-30(3,4)5)29(38)33-20(2)28(37)32-18-21-12-15-25(31)24-9-7-6-8-23(21)24/h6-15,20,26,35H,16-18H2,1-5H3,(H,32,37)(H,33,38)(H,34,36)/t20-,26-/m0/s1
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| InChIKey |
SRUXNSXPUPXHIK-FNZWTVRRSA-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