General Information of the Compound
| Compound ID |
CP0485629
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| Compound Name |
Ac-Phe-Orn-Pro-hle-Bta-Phe-NH2
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| Structure |
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| Formula |
C48H62N8O7S
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| Molecular Weight |
895.14
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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](Cc1csc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C48H62N8O7S/c1-30(2)22-23-36(44(59)55-40(28-34-29-64-42-21-11-10-18-35(34)42)46(61)54-38(43(50)58)26-32-14-6-4-7-15-32)52-47(62)41-20-13-25-56(41)48(63)37(19-12-24-49)53-45(60)39(51-31(3)57)27-33-16-8-5-9-17-33/h4-11,14-18,21,29-30,36-41H,12-13,19-20,22-28,49H2,1-3H3,(H2,50,58)(H,51,57)(H,52,62)(H,53,60)(H,54,61)(H,55,59)/t36-,37+,38-,39+,40-,41+/m1/s1
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| InChIKey |
RPQNJFODSYIOJA-JDYMMFPTSA-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