General Information of the Compound
| Compound ID |
CP0280631
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| Compound Name |
(S)-N-((1-carbamimidoylpiperidin-4-yl)methyl)-5-guanidino-2-((S)-2-((S)-5-guanidino-2-(2-phenylacetamido)pentanamido)-3-methylbutanamido)pentanamide
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| Structure |
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| Formula |
C32H55N13O4
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| Molecular Weight |
685.879
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC1CCN(CC1)C(N)=N
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| InChI |
InChI=1S/C32H55N13O4/c1-20(2)26(44-28(48)24(11-7-15-40-31(35)36)42-25(46)18-21-8-4-3-5-9-21)29(49)43-23(10-6-14-39-30(33)34)27(47)41-19-22-12-16-45(17-13-22)32(37)38/h3-5,8-9,20,22-24,26H,6-7,10-19H2,1-2H3,(H3,37,38)(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,33,34,39)(H4,35,36,40)/t23-,24-,26-/m0/s1
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| InChIKey |
LEEIZVYTIHJJNF-GNKBHMEESA-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
Protein ID: PT06793, Neuroendocrine convertase 1
Protein ID: PT06957, Neuroendocrine convertase 2
Protein ID: PT04219, Proprotein convertase subtilisin/kexin type 5
Protein ID: PT04551, Proprotein convertase subtilisin/kexin type 6
Protein ID: PT03149, Proprotein convertase subtilisin/kexin type 7