General Information of the Compound
| Compound ID |
CP0408313
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Leu]
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| Structure |
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| Formula |
C47H64N8O7
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| Molecular Weight |
853.078
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| Canonical SMILES |
CC(C)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/C47H64N8O7/c1-29(2)24-37-42(57)48-22-12-20-36(51-43(58)38(50-30(3)56)25-31-14-6-4-7-15-31)47(62)55-23-13-21-41(55)46(61)54-39(26-32-16-8-5-9-17-32)44(59)53-40(45(60)52-37)27-33-28-49-35-19-11-10-18-34(33)35/h4,6-7,10-11,14-15,18-19,28-29,32,36-41,49H,5,8-9,12-13,16-17,20-27H2,1-3H3,(H,48,57)(H,50,56)(H,51,58)(H,52,60)(H,53,59)(H,54,61)/t36-,37-,38-,39+,40-,41-/m0/s1
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| InChIKey |
OUDFZDKHZGNBTM-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