General Information of the Compound
| Compound ID |
CP0441782
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Ala-Arg]
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| Structure |
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| Formula |
C39H60N10O7
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| Molecular Weight |
780.972
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](CCCNC(N)=N)NC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
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| InChI |
InChI=1S/C39H60N10O7/c1-24-33(51)46-28(16-9-20-43-39(40)41)34(52)42-19-10-17-29(47-36(54)30(45-25(2)50)22-26-12-5-3-6-13-26)38(56)49-21-11-18-32(49)37(55)48-31(35(53)44-24)23-27-14-7-4-8-15-27/h3,5-6,12-13,24,27-32H,4,7-11,14-23H2,1-2H3,(H,42,52)(H,44,53)(H,45,50)(H,46,51)(H,47,54)(H,48,55)(H4,40,41,43)/t24-,28-,29-,30-,31+,32-/m0/s1
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| InChIKey |
RCANPSOYHAFQSD-IAXXQWKVSA-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