General Information of the Compound
| Compound ID |
CP0859206
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| Compound Name |
Ac-(Glu-Ala-His-Lys)-Asp-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2
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| Structure |
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| Formula |
C67H114N20O18
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| Molecular Weight |
1487.771
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC
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| InChI |
InChI=1S/C67H114N20O18/c1-10-13-19-41(58(97)82-46(24-26-51(90)91)62(101)87-54(37(7)12-3)66(105)86-53(55(69)94)36(6)11-2)79-63(102)47(30-35(4)5)84-60(99)42(20-14-16-27-68)78-59(98)44(22-18-29-74-67(70)71)81-65(104)49(32-52(92)93)85-61(100)43-21-15-17-28-73-50(89)25-23-45(77-39(9)88)57(96)76-38(8)56(95)83-48(64(103)80-43)31-40-33-72-34-75-40/h33-38,41-49,53-54H,10-32,68H2,1-9H3,(H2,69,94)(H,72,75)(H,73,89)(H,76,96)(H,77,88)(H,78,98)(H,79,102)(H,80,103)(H,81,104)(H,82,97)(H,83,95)(H,84,99)(H,85,100)(H,86,105)(H,87,101)(H,90,91)(H,92,93)(H4,70,71,74)/t36-,37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1
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| InChIKey |
WZZBPKHCXZAHQS-WSDLRZEOSA-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