General Information of the Compound
| Compound ID |
CP0445479
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| Compound Name |
(3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-2-oxo-piperdine-1-yl)-acetyl(Arg-OH)
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| Structure |
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| Formula |
C47H77N19O13S
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| Molecular Weight |
1148.32
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| Canonical SMILES |
N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O
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| InChI |
InChI=1S/C47H77N19O13S/c48-27(8-1-13-55-45(49)50)37(71)61-29(9-2-14-56-46(51)52)42(76)65-17-5-12-33(65)43(77)66-22-25(68)19-34(66)40(74)58-21-35(69)60-31(20-26-7-6-18-80-26)38(72)63-32(24-67)39(73)62-28-11-4-16-64(41(28)75)23-36(70)59-30(44(78)79)10-3-15-57-47(53)54/h6-7,18,25,27-34,67-68H,1-5,8-17,19-24,48H2,(H,58,74)(H,59,70)(H,60,69)(H,61,71)(H,62,73)(H,63,72)(H,78,79)(H4,49,50,55)(H4,51,52,56)(H4,53,54,57)/t25?,27-,28+,29+,30+,31+,32+,33+,34+/m1/s1
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| InChIKey |
FGEQYZXENUULQG-OIPKJSOESA-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