General Information of the Compound
| Compound ID |
CP0488033
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| Compound Name |
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C40H80N18O8
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| Molecular Weight |
941.198
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C40H80N18O8/c1-22(2)29(43)35(63)55-24(12-5-7-17-41)31(59)53-26(14-9-19-50-38(44)45)32(60)54-27(15-10-20-51-39(46)47)34(62)58-30(23(3)4)36(64)56-25(13-6-8-18-42)33(61)57-28(37(65)66)16-11-21-52-40(48)49/h22-30H,5-21,41-43H2,1-4H3,(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,61)(H,58,62)(H,65,66)(H4,44,45,50)(H4,46,47,51)(H4,48,49,52)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
CSEWNEAENOXTIT-FLMSMKGQSA-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: PT01387, Furin
Protein ID: PT04551, Proprotein convertase subtilisin/kexin type 6