General Information of the Compound
| Compound ID |
CP0392672
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| Compound Name |
(S)-5-[(S)-5,5-Difluoro-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-pentanoylamino]-2-(3,3-difluoro-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 |
C37H53F4N5O6
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| Molecular Weight |
739.852
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| Canonical SMILES |
CC[C@H](C)[C@H](O)C(=O)N[C@@H](CCC(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CCC(F)F)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C37H53F4N5O6/c1-5-23(4)33(48)37(52)44-27(12-14-31(40)41)35(50)45-28(19-24-9-7-6-8-10-24)29(47)20-26(11-13-30(38)39)34(49)46-32(22(2)3)36(51)43-21-25-15-17-42-18-16-25/h6-10,15-18,22-23,26-33,47-48H,5,11-14,19-21H2,1-4H3,(H,43,51)(H,44,52)(H,45,50)(H,46,49)/t23-,26+,27-,28-,29-,32-,33-/m0/s1
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| InChIKey |
VOAVHHOYQXKBTQ-LOMMXYNGSA-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