General Information of the Compound
| Compound ID |
CP0502522
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| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-2Ni]
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| Structure |
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| Formula |
C54H64N8O7
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| Molecular Weight |
937.155
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)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/C54H64N8O7/c1-34(63)57-45(29-35-14-4-2-5-15-35)50(65)58-43-22-12-26-55-49(64)44(31-37-24-25-38-18-8-9-19-39(38)28-37)59-52(67)47(32-40-33-56-42-21-11-10-20-41(40)42)60-51(66)46(30-36-16-6-3-7-17-36)61-53(68)48-23-13-27-62(48)54(43)69/h2,4-5,8-11,14-15,18-21,24-25,28,33,36,43-48,56H,3,6-7,12-13,16-17,22-23,26-27,29-32H2,1H3,(H,55,64)(H,57,63)(H,58,65)(H,59,67)(H,60,66)(H,61,68)/t43-,44-,45-,46+,47-,48-/m0/s1
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| InChIKey |
SABUYMXTPBLLLN-JTPIDVRLSA-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