General Information of the Compound
| Compound ID |
CP0430803
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| Compound Name |
(S)-2-((S)-3-allyl-4-((R)-2-amino-3-(4-fluorophenyl)propanoyl)-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide
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| Structure |
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| Formula |
C30H33FN4O3
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| Molecular Weight |
516.617
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CC=C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C30H33FN4O3/c1-3-6-26-30(38)35(16-15-34(26)29(37)25(32)18-20-10-13-24(31)14-11-20)27(28(36)33-2)19-21-9-12-22-7-4-5-8-23(22)17-21/h3-5,7-14,17,25-27H,1,6,15-16,18-19,32H2,2H3,(H,33,36)/t25-,26+,27+/m1/s1
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| InChIKey |
VAMQVBPONNLIMF-PVHODMMVSA-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