General Information of the Compound
| Compound ID |
CP0433514
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| Compound Name |
Ac-RYYRIK-K-(NH2)-YRFB
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| Synonyms |
Ac-RYYRIK-K-(NH2)-YRFB
CHEMBL412939
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| Structure |
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| Formula |
C77H117N23O15
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| Molecular Weight |
1604.929
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C77H117N23O15/c1-4-45(2)64(100-71(112)59(21-14-39-91-77(85)86)95-72(113)61(43-49-24-30-52(103)31-25-49)99-73(114)62(44-50-26-32-53(104)33-27-50)98-68(109)56(92-46(3)101)19-12-37-89-75(81)82)74(115)96-57(18-8-10-35-78)69(110)93-55(65(80)106)17-9-11-36-87-63(105)34-40-88-67(108)60(42-47-15-6-5-7-16-47)97-70(111)58(20-13-38-90-76(83)84)94-66(107)54(79)41-48-22-28-51(102)29-23-48/h5-7,15-16,22-33,45,54-62,64,102-104H,4,8-14,17-21,34-44,78-79H2,1-3H3,(H2,80,106)(H,87,105)(H,88,108)(H,92,101)(H,93,110)(H,94,107)(H,95,113)(H,96,115)(H,97,111)(H,98,109)(H,99,114)(H,100,112)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t45-,54-,55-,56-,57-,58+,59-,60-,61-,62-,64-/m0/s1
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| InChIKey |
XLFHOYFYEWSAKV-OKFGKCNJSA-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
Clinical Information about the Compound