General Information of the Compound
| Compound ID |
CP0372445
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| Compound Name |
AwFwLL-NH2
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| Synonyms |
AwFwLL-NH2
CHEMBL509976
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| Structure |
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| Formula |
C46H59N9O6
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| Molecular Weight |
834.035
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(N)=O
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| InChI |
InChI=1S/C46H59N9O6/c1-26(2)19-36(41(48)56)51-43(58)37(20-27(3)4)53-46(61)40(23-31-25-50-35-18-12-10-16-33(31)35)55-44(59)38(21-29-13-7-6-8-14-29)54-45(60)39(52-42(57)28(5)47)22-30-24-49-34-17-11-9-15-32(30)34/h6-18,24-28,36-40,49-50H,19-23,47H2,1-5H3,(H2,48,56)(H,51,58)(H,52,57)(H,53,61)(H,54,60)(H,55,59)/t28-,36-,37-,38-,39+,40+/m0/s1
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| InChIKey |
SHJLXMWODYAZLK-JKHVPLMQSA-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
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Cell-based Assay
Clinical Information about the Compound