General Information of the Compound
| Compound ID |
CP0499590
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Ala]
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| Structure |
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| Formula |
C44H58N8O7
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| Molecular Weight |
810.997
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| Canonical SMILES |
C[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/C44H58N8O7/c1-27-39(54)45-21-11-19-34(49-41(56)35(48-28(2)53)23-29-13-5-3-6-14-29)44(59)52-22-12-20-38(52)43(58)51-36(24-30-15-7-4-8-16-30)42(57)50-37(40(55)47-27)25-31-26-46-33-18-10-9-17-32(31)33/h3,5-6,9-10,13-14,17-18,26-27,30,34-38,46H,4,7-8,11-12,15-16,19-25H2,1-2H3,(H,45,54)(H,47,55)(H,48,53)(H,49,56)(H,50,57)(H,51,58)/t27-,34-,35-,36+,37-,38-/m0/s1
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| InChIKey |
ROWZFVYENIKQFB-AVWFULIKSA-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