General Information of the Compound
| Compound ID |
CP0391434
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| Compound Name |
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C39H77N17O8
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| Molecular Weight |
912.156
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| Canonical SMILES |
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)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(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C39H77N17O8/c1-21(2)19-24(41)31(58)56-29(20-22(3)4)35(62)54-27(13-9-17-49-38(44)45)33(60)53-26(12-8-16-48-37(42)43)32(59)51-23(5)30(57)52-25(11-6-7-15-40)34(61)55-28(36(63)64)14-10-18-50-39(46)47/h21-29H,6-20,40-41H2,1-5H3,(H,51,59)(H,52,57)(H,53,60)(H,54,62)(H,55,61)(H,56,58)(H,63,64)(H4,42,43,48)(H4,44,45,49)(H4,46,47,50)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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| InChIKey |
CMGVCQGZBHZPRG-BMGWUDNWSA-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