General Information of the Compound
| Compound ID |
CP0522895
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Nva]
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| Structure |
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| Formula |
C46H62N8O7
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| Molecular Weight |
839.051
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| Canonical SMILES |
CCC[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/C46H62N8O7/c1-3-14-35-41(56)47-23-12-21-36(51-42(57)37(49-29(2)55)25-30-15-6-4-7-16-30)46(61)54-24-13-22-40(54)45(60)53-38(26-31-17-8-5-9-18-31)43(58)52-39(44(59)50-35)27-32-28-48-34-20-11-10-19-33(32)34/h4,6-7,10-11,15-16,19-20,28,31,35-40,48H,3,5,8-9,12-14,17-18,21-27H2,1-2H3,(H,47,56)(H,49,55)(H,50,59)(H,51,57)(H,52,58)(H,53,60)/t35-,36-,37-,38+,39-,40-/m0/s1
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| InChIKey |
QAEBVSMKCRETFQ-HPSWDUTRSA-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