General Information of the Compound
| Compound ID |
CP0541724
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| Compound Name |
Ac-Phe-[Orn-Ala-cha-Trp-Arg]
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| Structure |
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| Formula |
C45H63N11O7
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| Molecular Weight |
870.069
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@H](CCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
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| InChI |
InChI=1S/C45H63N11O7/c1-27-39(58)55-37(24-30-15-7-4-8-16-30)43(62)56-38(25-31-26-50-33-18-10-9-17-32(31)33)44(63)53-34(19-12-22-49-45(46)47)40(59)48-21-11-20-35(41(60)51-27)54-42(61)36(52-28(2)57)23-29-13-5-3-6-14-29/h3,5-6,9-10,13-14,17-18,26-27,30,34-38,50H,4,7-8,11-12,15-16,19-25H2,1-2H3,(H,48,59)(H,51,60)(H,52,57)(H,53,63)(H,54,61)(H,55,58)(H,56,62)(H4,46,47,49)/t27-,34-,35-,36-,37+,38-/m0/s1
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| InChIKey |
QGUSWOLCRBDITI-XJVAENRWSA-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