General Information of the Compound
| Compound ID |
CP0921499
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| Compound Name |
(S)-1-((S)-2-((S)-2-(3-(benzamido)-5-(N-methylmethan-5-ylsulfonamido)benzamido)-3-phenylpropylamino)propanoyl)pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C35H42FN5O7S
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| Molecular Weight |
695.814
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| Canonical SMILES |
C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)C(=O)N1CCC[C@H]1C(=O)O
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| InChI |
InChI=1S/C35H42FN5O7S/c1-22(25-12-14-28(36)15-13-25)38-32(42)26-18-27(20-30(19-26)40(3)49(4,47)48)33(43)39-29(17-24-9-6-5-7-10-24)21-37-23(2)34(44)41-16-8-11-31(41)35(45)46/h5-7,9-10,12-15,18-20,22-23,29,31,37H,8,11,16-17,21H2,1-4H3,(H,38,42)(H,39,43)(H,45,46)/t22-,23+,29+,31+/m1/s1
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| InChIKey |
ROHLWINGUSSOET-GAGCCFQVSA-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