General Information of the Compound
| Compound ID |
CP0471495
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanamide
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| Structure |
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| Formula |
C55H106N18O10
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| Molecular Weight |
1179.569
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| Canonical SMILES |
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C55H106N18O10/c1-30(2)26-40(65-35(11)74)49(79)70-42(28-32(5)6)51(81)72-43(29-33(7)8)52(82)71-41(27-31(3)4)50(80)68-39(21-17-25-64-55(61)62)48(78)73-44(34(9)10)53(83)69-37(19-13-15-23-57)47(77)67-38(20-16-24-63-54(59)60)46(76)66-36(45(58)75)18-12-14-22-56/h30-34,36-44H,12-29,56-57H2,1-11H3,(H2,58,75)(H,65,74)(H,66,76)(H,67,77)(H,68,80)(H,69,83)(H,70,79)(H,71,82)(H,72,81)(H,73,78)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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| InChIKey |
IRFLYSQYRAMPTO-FSLKYBNLSA-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