General Information of the Compound
| Compound ID |
CP0485626
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Ocg]
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| Structure |
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| Formula |
C51H72N8O7
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| Molecular Weight |
909.186
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| Canonical SMILES |
CCCCCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
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| InChI |
InChI=1S/C51H72N8O7/c1-3-4-5-6-7-14-25-40-46(61)52-28-17-26-41(56-47(62)42(54-34(2)60)30-35-19-10-8-11-20-35)51(66)59-29-18-27-45(59)50(65)58-43(31-36-21-12-9-13-22-36)48(63)57-44(49(64)55-40)32-37-33-53-39-24-16-15-23-38(37)39/h8,10-11,15-16,19-20,23-24,33,36,40-45,53H,3-7,9,12-14,17-18,21-22,25-32H2,1-2H3,(H,52,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)/t40-,41-,42-,43+,44-,45-/m0/s1
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| InChIKey |
ZOIUGRPGAFSUGG-CPPKSIGKSA-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