General Information of the Compound
| Compound ID |
CP0310066
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| Compound Name |
Asp-Thr-p-NO2-Phe-Val-Gly-Leu-Nle-NH2
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| Structure |
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| Formula |
C37H59N9O12
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| Molecular Weight |
821.93
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| Canonical SMILES |
CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O
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| InChI |
InChI=1S/C37H59N9O12/c1-18(2)8-13-25(32(39)51)42-34(53)26(14-19(3)4)41-28(48)17-40-36(55)30(20(5)6)44-35(54)27(15-22-9-11-23(12-10-22)46(57)58)43-37(56)31(21(7)47)45-33(52)24(38)16-29(49)50/h9-12,18-21,24-27,30-31,47H,8,13-17,38H2,1-7H3,(H2,39,51)(H,40,55)(H,41,48)(H,42,53)(H,43,56)(H,44,54)(H,45,52)(H,49,50)/t21-,24+,25+,26+,27+,30+,31+/m1/s1
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| InChIKey |
RZBJNEWMGZLTHV-VPFUYYLISA-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