General Information of the Compound
| Compound ID |
CP0376163
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| Compound Name |
Ac-Ala-[Orn-Pro-cha-Trp-Eag]
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| Structure |
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| Formula |
C45H57N9O7
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| Molecular Weight |
836.007
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CC#N)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/C45H57N9O7/c1-28(55)49-36(24-29-12-4-2-5-13-29)41(57)51-35-18-10-22-47-40(56)34(20-21-46)50-43(59)38(26-31-27-48-33-17-9-8-16-32(31)33)52-42(58)37(25-30-14-6-3-7-15-30)53-44(60)39-19-11-23-54(39)45(35)61/h2,4-5,8-9,12-13,16-17,27,30,34-39,48H,3,6-7,10-11,14-15,18-20,22-26H2,1H3,(H,47,56)(H,49,55)(H,50,59)(H,51,57)(H,52,58)(H,53,60)/t34-,35-,36-,37+,38-,39-/m0/s1
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| InChIKey |
IKAZQLOOWZWUHF-WYLITWLFSA-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