General Information of the Compound
| Compound ID |
CP0192431
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| Compound Name |
(S)-2-acetamido-N-((S)-1-((S)-1-(4-carbamimidoylbenzylamino)-5-guanidino-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-5-guanidinopentanamide
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| Structure |
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| Formula |
C27H46N12O4
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| Molecular Weight |
602.745
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C27H46N12O4/c1-15(2)21(39-24(42)20(37-16(3)40)7-5-13-35-27(32)33)25(43)38-19(6-4-12-34-26(30)31)23(41)36-14-17-8-10-18(11-9-17)22(28)29/h8-11,15,19-21H,4-7,12-14H2,1-3H3,(H3,28,29)(H,36,41)(H,37,40)(H,38,43)(H,39,42)(H4,30,31,34)(H4,32,33,35)/t19-,20-,21-/m0/s1
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| InChIKey |
UXEFAKYOWKPLSZ-ACRUOGEOSA-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