General Information of the Compound
| Compound ID |
CP0481024
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| Compound Name |
(4S)-4-amino-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C37H69N15O13
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| Molecular Weight |
932.051
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)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/C37H69N15O13/c38-15-3-1-7-21(47-29(58)20(40)11-13-27(54)55)30(59)50-24(12-14-28(56)57)33(62)48-23(9-5-17-45-36(41)42)32(61)52-26(19-53)34(63)49-22(8-2-4-16-39)31(60)51-25(35(64)65)10-6-18-46-37(43)44/h20-26,53H,1-19,38-40H2,(H,47,58)(H,48,62)(H,49,63)(H,50,59)(H,51,60)(H,52,61)(H,54,55)(H,56,57)(H,64,65)(H4,41,42,45)(H4,43,44,46)/t20-,21-,22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
FBWSKBCXJHRWQC-OLDNPOFQSA-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