General Information of the Compound
| Compound ID |
CP0541693
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| Compound Name |
Ac-Phe-Orn-Pro-hle-Dcf-Phe-NH2
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| Structure |
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| Formula |
C46H60Cl2N8O7
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| Molecular Weight |
907.941
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| Canonical SMILES |
CC(C)CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C46H60Cl2N8O7/c1-28(2)18-21-35(42(59)55-39(27-32-19-20-33(47)34(48)24-32)44(61)54-37(41(50)58)25-30-12-6-4-7-13-30)52-45(62)40-17-11-23-56(40)46(63)36(16-10-22-49)53-43(60)38(51-29(3)57)26-31-14-8-5-9-15-31/h4-9,12-15,19-20,24,28,35-40H,10-11,16-18,21-23,25-27,49H2,1-3H3,(H2,50,58)(H,51,57)(H,52,62)(H,53,60)(H,54,61)(H,55,59)/t35-,36+,37-,38+,39-,40+/m1/s1
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| InChIKey |
HMVYUUGLVJKQGT-NZAXLHQQSA-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