General Information of the Compound
| Compound ID |
CP0376480
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| Compound Name |
(S)-5-[(S)-5-Fluoro-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-pentanoylamino]-2-(3-fluoro-propyl)-4-(S)-hydroxy-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
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| Structure |
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| Formula |
C37H55F2N5O6
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| Molecular Weight |
703.872
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| Canonical SMILES |
CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCCF)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCCF)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C37H55F2N5O6/c1-5-25(4)33(46)37(50)42-29(14-10-18-39)35(48)43-30(21-26-11-7-6-8-12-26)31(45)22-28(13-9-17-38)34(47)44-32(24(2)3)36(49)41-23-27-15-19-40-20-16-27/h6-8,11-12,15-16,19-20,24-25,28-33,45-46H,5,9-10,13-14,17-18,21-23H2,1-4H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)/t25-,28+,29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
YCZKRRJMDAHFDI-GMHXWLSASA-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