General Information of the Compound
| Compound ID |
CP0554714
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Chg]
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| Structure |
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| Formula |
C49H66N8O7
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| Molecular Weight |
879.116
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O)C1CCCCC1
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| InChI |
InChI=1S/C49H66N8O7/c1-31(58)52-39(27-32-15-5-2-6-16-32)44(59)53-38-23-13-25-50-48(63)43(34-19-9-4-10-20-34)56-46(61)41(29-35-30-51-37-22-12-11-21-36(35)37)54-45(60)40(28-33-17-7-3-8-18-33)55-47(62)42-24-14-26-57(42)49(38)64/h2,5-6,11-12,15-16,21-22,30,33-34,38-43,51H,3-4,7-10,13-14,17-20,23-29H2,1H3,(H,50,63)(H,52,58)(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t38-,39-,40+,41-,42-,43-/m0/s1
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| InChIKey |
QOCOPNWXTXIJOK-WKSNNGRJSA-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