General Information of the Compound
| Compound ID |
CP0895087
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| Compound Name |
Glu-Thr-Pro-Asp-Cys-Phe-Trp-Ala-Tyr-Cys-Val
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| Structure |
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| Formula |
C61H80N12O18S2
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| Molecular Weight |
1333.511
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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](C)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]1CCCN1C(=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/C61H80N12O18S2/c1-30(2)49(61(90)91)71-58(87)45(29-93)70-55(84)40(24-34-16-18-36(75)19-17-34)65-51(80)31(3)64-53(82)42(25-35-27-63-39-14-9-8-13-37(35)39)67-54(83)41(23-33-11-6-5-7-12-33)66-57(86)44(28-92)69-56(85)43(26-48(78)79)68-59(88)46-15-10-22-73(46)60(89)50(32(4)74)72-52(81)38(62)20-21-47(76)77/h5-9,11-14,16-19,27,30-32,38,40-46,49-50,63,74-75,92-93H,10,15,20-26,28-29,62H2,1-4H3,(H,64,82)(H,65,80)(H,66,86)(H,67,83)(H,68,88)(H,69,85)(H,70,84)(H,71,87)(H,72,81)(H,76,77)(H,78,79)(H,90,91)/t31-,32+,38-,40-,41-,42-,43-,44-,45-,46+,49-,50-/m0/s1
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| InChIKey |
DLYYRONXNNKUJL-JYDKZSAOSA-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