General Information of the Compound
| Compound ID |
CP0892323
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| Compound Name |
Ac-(Glu-Ala-Lys-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2
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| Structure |
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| Formula |
C67H120N20O17
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| Molecular Weight |
1477.82
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC
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| InChI |
InChI=1S/C67H120N20O17/c1-10-13-21-41(58(96)83-47(27-29-52(91)92)63(101)87-54(38(7)12-3)66(104)86-53(55(71)93)37(6)11-2)81-64(102)48(34-36(4)5)84-61(99)43(23-15-18-31-69)79-60(98)45(25-20-33-75-67(72)73)82-65(103)49(35-50(70)89)85-62(100)44-24-16-19-32-74-51(90)28-26-46(77-40(9)88)57(95)76-39(8)56(94)78-42(59(97)80-44)22-14-17-30-68/h36-39,41-49,53-54H,10-35,68-69H2,1-9H3,(H2,70,89)(H2,71,93)(H,74,90)(H,76,95)(H,77,88)(H,78,94)(H,79,98)(H,80,97)(H,81,102)(H,82,103)(H,83,96)(H,84,99)(H,85,100)(H,86,104)(H,87,101)(H,91,92)(H4,72,73,75)/t37-,38-,39-,41-,42-,43-,44-,45?,46-,47-,48-,49-,53-,54-/m0/s1
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| InChIKey |
JGFGGTCHIMNLKD-PEBFPCBOSA-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