General Information of the Compound
| Compound ID |
CP0507196
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C31H61N13O6
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| Molecular Weight |
711.914
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| Canonical SMILES |
CC(C)C[C@H](NC(C)=O)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(N)=O
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| InChI |
InChI=1S/C31H61N13O6/c1-17(2)16-23(40-19(5)45)28(49)42-22(12-9-15-39-31(36)37)27(48)44-24(18(3)4)29(50)43-21(10-6-7-13-32)26(47)41-20(25(33)46)11-8-14-38-30(34)35/h17-18,20-24H,6-16,32H2,1-5H3,(H2,33,46)(H,40,45)(H,41,47)(H,42,49)(H,43,50)(H,44,48)(H4,34,35,38)(H4,36,37,39)/t20-,21-,22-,23-,24-/m0/s1
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| InChIKey |
ZRPNBIQBZKYFRG-LSBAASHUSA-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