General Information of the Compound
| Compound ID |
CP0499424
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| Compound Name |
(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C39H67N15O10
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| Molecular Weight |
906.06
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C39H67N15O10/c40-16-6-4-12-24(32(58)51-25(13-5-7-17-41)34(60)53-27(37(63)64)15-9-19-48-39(45)46)50-33(59)26(14-8-18-47-38(43)44)52-36(62)29(21-31(56)57)54-35(61)28(49-30(55)22-42)20-23-10-2-1-3-11-23/h1-3,10-11,24-29H,4-9,12-22,40-42H2,(H,49,55)(H,50,59)(H,51,58)(H,52,62)(H,53,60)(H,54,61)(H,56,57)(H,63,64)(H4,43,44,47)(H4,45,46,48)/t24-,25-,26-,27-,28-,29-/m0/s1
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| InChIKey |
YRFVDMSYFVWLJK-AQRCPPRCSA-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