General Information of the Compound
| Compound ID |
CP0499591
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Lys]
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| Structure |
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| Formula |
C47H65N9O7
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| Molecular Weight |
868.093
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
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| InChI |
InChI=1S/C47H65N9O7/c1-30(57)51-38(26-31-14-4-2-5-15-31)43(59)53-37-21-12-24-49-42(58)36(20-10-11-23-48)52-45(61)40(28-33-29-50-35-19-9-8-18-34(33)35)54-44(60)39(27-32-16-6-3-7-17-32)55-46(62)41-22-13-25-56(41)47(37)63/h2,4-5,8-9,14-15,18-19,29,32,36-41,50H,3,6-7,10-13,16-17,20-28,48H2,1H3,(H,49,58)(H,51,57)(H,52,61)(H,53,59)(H,54,60)(H,55,62)/t36-,37-,38-,39+,40-,41-/m0/s1
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| InChIKey |
UTNGRRHYMVOZLR-ZQPNNPFBSA-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