General Information of the Compound
| Compound ID |
CP0869542
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| Compound Name |
DTPA-DLys-Pro-Arg-Aba(Apy)-Arg-Pro-Tyr-Ile-Leu-OH
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| Structure |
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| Formula |
C65H102N18O19
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| Molecular Weight |
1439.638
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCc1ccnc(N)n1)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)C(=O)N[C@@H](CC(C)C)C(=O)O
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| InChI |
InChI=1S/C65H102N18O19/c1-5-39(4)55(60(98)77-47(63(101)102)31-38(2)3)78-57(95)46(32-40-15-18-42(84)19-16-40)76-59(97)49-14-10-26-83(49)62(100)45(12-8-23-70-64(67)68)75-56(94)43(20-17-41-21-24-71-65(69)72-41)74-58(96)48-13-9-25-82(48)61(99)44(11-6-7-22-66)73-50(85)33-80(35-52(88)89)29-27-79(34-51(86)87)28-30-81(36-53(90)91)37-54(92)93/h15-16,18-19,21,24,38-39,43-49,55,84H,5-14,17,20,22-23,25-37,66H2,1-4H3,(H,73,85)(H,74,96)(H,75,94)(H,76,97)(H,77,98)(H,78,95)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,101,102)(H4,67,68,70)(H2,69,71,72)/t39-,43-,44+,45-,46-,47-,48-,49-,55-/m0/s1
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| InChIKey |
JQIVLGFPZQCEKA-UOSOFOBASA-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