General Information of the Compound
| Compound ID |
CP0554710
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| Compound Name |
Ac-Phe-[Orn-Pro-ala-Trp-Arg]
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| Structure |
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| Formula |
C41H55N11O7
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| Molecular Weight |
813.961
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| Canonical SMILES |
C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
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| InChI |
InChI=1S/C41H55N11O7/c1-24-35(54)51-33(22-27-23-46-29-14-7-6-13-28(27)29)38(57)49-30(15-8-19-45-41(42)43)36(55)44-18-9-16-31(40(59)52-20-10-17-34(52)39(58)47-24)50-37(56)32(48-25(2)53)21-26-11-4-3-5-12-26/h3-7,11-14,23-24,30-34,46H,8-10,15-22H2,1-2H3,(H,44,55)(H,47,58)(H,48,53)(H,49,57)(H,50,56)(H,51,54)(H4,42,43,45)/t24-,30+,31+,32+,33+,34+/m1/s1
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| InChIKey |
FDLWVTUXYSIUCI-LFXFVITASA-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