General Information of the Compound
| Compound ID |
CP0462395
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| Compound Name |
Asp-Val-Pro-Lys-Ser-Asp-Gln-Phe-Val-Gly-Leu-Met-NH2
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| Structure |
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| Formula |
C59H94N14O19S
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| Molecular Weight |
1335.547
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(N)=O
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| InChI |
InChI=1S/C59H94N14O19S/c1-30(2)24-38(53(86)65-35(49(62)82)20-23-93-7)64-43(75)28-63-58(91)47(31(3)4)71-55(88)39(25-33-14-9-8-10-15-33)68-52(85)37(18-19-44(76)77)66-54(87)40(27-46(80)81)69-56(89)41(29-74)70-51(84)36(16-11-12-21-60)67-57(90)42-17-13-22-73(42)59(92)48(32(5)6)72-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,74H,11-13,16-29,60-61H2,1-7H3,(H2,62,82)(H,63,91)(H,64,75)(H,65,86)(H,66,87)(H,67,90)(H,68,85)(H,69,89)(H,70,84)(H,71,88)(H,72,83)(H,76,77)(H,78,79)(H,80,81)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48-/m0/s1
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| InChIKey |
GDBREXONAMPGBA-FJCMUPJRSA-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