General Information of the Compound
| Compound ID |
CP0391282
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-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 |
C25H50N12O5
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| Molecular Weight |
598.754
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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](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
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| InChI |
InChI=1S/C25H50N12O5/c1-14(2)19(37-22(41)17(34-15(3)38)10-7-13-33-25(30)31)23(42)36-18(8-4-5-11-26)21(40)35-16(20(27)39)9-6-12-32-24(28)29/h14,16-19H,4-13,26H2,1-3H3,(H2,27,39)(H,34,38)(H,35,40)(H,36,42)(H,37,41)(H4,28,29,32)(H4,30,31,33)/t16-,17-,18-,19-/m0/s1
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| InChIKey |
WZSHFRXRUMWNDY-VJANTYMQSA-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