General Information of the Compound
| Compound ID |
CP0899606
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| Compound Name |
Glu-Thr-Ala-Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val
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| Structure |
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| Formula |
C62H85N13O18S2
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| Molecular Weight |
1364.569
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O
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| InChI |
InChI=1S/C62H85N13O18S2/c1-31(2)50(62(92)93)74-60(90)47(30-95)73-56(86)43(25-35-17-19-37(77)20-18-35)69-54(84)41(16-10-11-23-63)67-57(87)44(26-36-28-65-40-15-9-8-14-38(36)40)71-55(85)42(24-34-12-6-5-7-13-34)70-59(89)46(29-94)72-58(88)45(27-49(80)81)68-52(82)32(3)66-61(91)51(33(4)76)75-53(83)39(64)21-22-48(78)79/h5-9,12-15,17-20,28,31-33,39,41-47,50-51,65,76-77,94-95H,10-11,16,21-27,29-30,63-64H2,1-4H3,(H,66,91)(H,67,87)(H,68,82)(H,69,84)(H,70,89)(H,71,85)(H,72,88)(H,73,86)(H,74,90)(H,75,83)(H,78,79)(H,80,81)(H,92,93)/t32-,33+,39-,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
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| InChIKey |
CPMNSMMNGMGFRR-WAZRHKIJSA-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