General Information of the Compound
| Compound ID |
CP0907725
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| Compound Name |
(S)-N-((S)-1-cyclohexyl-4-(methylsulfonyl)but-3-en-2-yl)-3-(4-methoxyphenyl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanamide
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| Structure |
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| Formula |
C30H46N4O7S
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| Molecular Weight |
606.786
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC2CCCCC2)cc1
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| InChI |
InChI=1S/C30H46N4O7S/c1-22(31-28(35)21-34-14-16-41-17-15-34)29(36)33-27(20-24-9-11-26(40-2)12-10-24)30(37)32-25(13-18-42(3,38)39)19-23-7-5-4-6-8-23/h9-13,18,22-23,25,27H,4-8,14-17,19-21H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/b18-13+/t22-,25+,27-/m0/s1
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| InChIKey |
DTQGGHJJWFSPKA-LJFIHKBPSA-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