General Information of the Compound
| Compound ID |
CP0354052
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| Compound Name |
(2S)-N'-tert-butyl-N-[(2S)-1-[(4-fluoronaphthalen-1-yl)methylamino]-3-methoxy-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]pentanediamide
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| Formula |
C31H39FN4O6S
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| Molecular Weight |
614.74
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| Canonical SMILES |
COC[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/C31H39FN4O6S/c1-20-10-13-22(14-11-20)43(40,41)36-26(16-17-28(37)35-31(2,3)4)30(39)34-27(19-42-5)29(38)33-18-21-12-15-25(32)24-9-7-6-8-23(21)24/h6-15,26-27,36H,16-19H2,1-5H3,(H,33,38)(H,34,39)(H,35,37)/t26-,27-/m0/s1
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| InChIKey |
ACKUOPORWYFMTA-SVBPBHIXSA-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