General Information of the Compound
| Compound ID |
CP0097773
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
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| Structure |
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| Formula |
C35H62N12O4
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| Molecular Weight |
714.961
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| Canonical SMILES |
CCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C35H62N12O4/c1-4-5-6-7-8-9-10-15-28(48)45-27(14-12-21-43-35(40)41)32(50)47-29(23(2)3)33(51)46-26(13-11-20-42-34(38)39)31(49)44-22-24-16-18-25(19-17-24)30(36)37/h16-19,23,26-27,29H,4-15,20-22H2,1-3H3,(H3,36,37)(H,44,49)(H,45,48)(H,46,51)(H,47,50)(H4,38,39,42)(H4,40,41,43)/t26-,27-,29-/m0/s1
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| InChIKey |
QMAXHSLPLMYIPN-YCVJPRETSA-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