General Information of the Compound
| Compound ID |
CP0935328
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| Compound Name |
DTPA-DLys-Pro-Arg-Gly(PipAm)-Arg-Pro-mTyr-tBuGly-Leu-OH
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| Structure |
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| Formula |
C65H106N18O19
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| Molecular Weight |
1443.67
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)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)C(C)(C)C)C(=O)O
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| InChI |
InChI=1S/C65H106N18O19/c1-38(2)30-45(62(101)102)75-59(98)54(65(3,4)5)77-55(94)44(32-39-12-8-13-41(84)31-39)74-56(95)46-16-10-22-82(46)61(100)43(15-9-21-71-63(67)68)73-58(97)53(40-18-24-81(25-19-40)64(69)70)76-57(96)47-17-11-23-83(47)60(99)42(14-6-7-20-66)72-48(85)33-79(35-50(88)89)28-26-78(34-49(86)87)27-29-80(36-51(90)91)37-52(92)93/h8,12-13,31,38,40,42-47,53-54,84H,6-7,9-11,14-30,32-37,66H2,1-5H3,(H3,69,70)(H,72,85)(H,73,97)(H,74,95)(H,75,98)(H,76,96)(H,77,94)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,101,102)(H4,67,68,71)/t42-,43+,44+,45+,46+,47+,53+,54-/m1/s1
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| InChIKey |
VAGOXKCSQHIDBF-ALPLVWNESA-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