General Information of the Compound
| Compound ID |
CP0907022
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| Compound Name |
cyclo-[MeBmt-Abu-L-Pro-MeLeu-Val-MeLeu-Ala-D-Ala-MeLeu-MeLeu-MeVal]
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| Structure |
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| Formula |
C62H111N11O12
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| Molecular Weight |
1202.635
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| Canonical SMILES |
CC/C=C/C[C@@H](C)[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C=O)C(C)C)C(C)C)C(=O)N[C@@H](CC)C(=O)N1CCC[C@H]1C
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| InChI |
InChI=1S/C62H111N11O12/c1-21-23-24-26-40(15)52(75)51(60(83)65-44(22-2)62(85)73-28-25-27-41(73)16)70-59(82)50(39(13)14)69-57(80)48(32-37(9)10)72(20)61(84)46(30-35(5)6)67-54(77)43(18)63-53(76)42(17)64-55(78)45(29-34(3)4)66-58(81)49(38(11)12)68-56(79)47(31-36(7)8)71(19)33-74/h23-24,33-52,75H,21-22,25-32H2,1-20H3,(H,63,76)(H,64,78)(H,65,83)(H,66,81)(H,67,77)(H,68,79)(H,69,80)(H,70,82)/b24-23+/t40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50+,51+,52-/m1/s1
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| InChIKey |
QEZQYLMWZKPKLK-PVRLILBISA-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