General Information of the Compound
| Compound ID |
CP0859328
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| Compound Name |
DTPA-DLys-Pro-Arg-Gly(PipAm)-Gly(Pip)-Pro-Tyr-tBuGly-Leu-OH
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| Structure |
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| Formula |
C66H106N16O19
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| Molecular Weight |
1427.667
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C1CCN(C(=N)N)CC1)C1CCNCC1)C(C)(C)C)C(=O)O
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| InChI |
InChI=1S/C66H106N16O19/c1-39(2)32-46(64(100)101)73-61(97)56(66(3,4)5)76-57(93)45(33-40-13-15-43(83)16-14-40)72-58(94)47-11-9-25-82(47)63(99)55(41-17-22-70-23-18-41)75-60(96)54(42-19-26-80(27-20-42)65(68)69)74-59(95)48-12-8-24-81(48)62(98)44(10-6-7-21-67)71-49(84)34-78(36-51(87)88)30-28-77(35-50(85)86)29-31-79(37-52(89)90)38-53(91)92/h13-16,39,41-42,44-48,54-56,70,83H,6-12,17-38,67H2,1-5H3,(H3,68,69)(H,71,84)(H,72,94)(H,73,97)(H,74,95)(H,75,96)(H,76,93)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,100,101)/t44-,45+,46+,47+,48+,54+,55+,56-/m1/s1
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| InChIKey |
UMHUGNUEMQGGKA-MINQDWFNSA-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