General Information of the Compound
| Compound ID |
CP0456455
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Phe]
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| Structure |
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| Formula |
C50H62N8O7
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| Molecular Weight |
887.095
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2ccccc2)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/C50H62N8O7/c1-32(59)53-41(28-34-17-7-3-8-18-34)46(61)54-39-23-13-25-51-45(60)40(27-33-15-5-2-6-16-33)55-48(63)43(30-36-31-52-38-22-12-11-21-37(36)38)56-47(62)42(29-35-19-9-4-10-20-35)57-49(64)44-24-14-26-58(44)50(39)65/h2-3,5-8,11-12,15-18,21-22,31,35,39-44,52H,4,9-10,13-14,19-20,23-30H2,1H3,(H,51,60)(H,53,59)(H,54,61)(H,55,63)(H,56,62)(H,57,64)/t39-,40-,41-,42+,43-,44-/m0/s1
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| InChIKey |
IEWVBTBLEVZVBE-IVBFPXIYSA-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