General Information of the Compound
| Compound ID |
CP0427104
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| Compound Name |
SIALOKININ II
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| Structure |
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| Formula |
C51H76N12O16S
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| Molecular Weight |
1145.304
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(N)=O
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| InChI |
InChI=1S/C51H76N12O16S/c1-27(2)20-35(48(76)59-33(44(54)72)17-19-80-4)57-39(66)25-55-46(74)36(22-30-13-15-31(65)16-14-30)61-49(77)37(21-29-10-6-5-7-11-29)62-47(75)34(12-8-9-18-52)60-50(78)38(24-42(70)71)58-40(67)26-56-51(79)43(28(3)64)63-45(73)32(53)23-41(68)69/h5-7,10-11,13-16,27-28,32-38,43,64-65H,8-9,12,17-26,52-53H2,1-4H3,(H2,54,72)(H,55,74)(H,56,79)(H,57,66)(H,58,67)(H,59,76)(H,60,78)(H,61,77)(H,62,75)(H,63,73)(H,68,69)(H,70,71)/t28-,32+,33+,34+,35+,36+,37+,38+,43+/m1/s1
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| InChIKey |
DAASCSHCPGXAAM-FBCVKHONSA-N
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| CAS |
152923-42-7
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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