General Information of the Compound
| Compound ID |
CP0475667
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| Compound Name |
Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-Ile-NH2
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| Structure |
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| Formula |
C68H117N19O19
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| Molecular Weight |
1504.798
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(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](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38+,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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| InChIKey |
CZNBDSTYWDTZEW-GBXBSPDPSA-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