General Information of the Compound
| Compound ID |
CP0403148
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| Compound Name |
(3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H),-2-oxo-pyrrolidin-1-yl)-acetyl-(Arg-OH)
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| Structure |
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| Formula |
C46H75N19O13S
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| Molecular Weight |
1134.293
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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]1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O
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| InChI |
InChI=1S/C46H75N19O13S/c47-26(7-1-12-54-44(48)49)36(70)60-27(8-2-13-55-45(50)51)41(75)64-15-4-10-32(64)42(76)65-21-24(67)18-33(65)39(73)57-20-34(68)59-30(19-25-6-5-17-79-25)37(71)62-31(23-66)38(72)61-28-11-16-63(40(28)74)22-35(69)58-29(43(77)78)9-3-14-56-46(52)53/h5-6,17,24,26-33,66-67H,1-4,7-16,18-23,47H2,(H,57,73)(H,58,69)(H,59,68)(H,60,70)(H,61,72)(H,62,71)(H,77,78)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)/t24?,26-,27+,28-,29+,30+,31+,32+,33+/m1/s1
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| InChIKey |
KOXRUUJVLOFYHR-KXHYGSJVSA-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