General Information of the Compound
| Compound ID |
CP0437737
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| Compound Name |
(S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((2S,3R)-2-((S)-3-(1H-indol-3-yl)-2-(2-(methylamino)acetamido)propanamido)-3-hydroxybutanamido)-4-methylpentanamido)-4-amino-4-oxobutanamido)-3-hydroxypropanamido)propanamido)acetamido)-3-(4-hydroxyphenyl)propanamido)-4-methylpentanamido)-4-methylpentanamido)acetyl)-N-((S)-6-amino-1-((S)-6-amino-1-((S)-6-amino-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxohexan-2-ylamino)-1-oxohexan-2-ylamino)-1-oxohexan-2-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C88H144N24O21
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| Molecular Weight |
1874.267
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| Canonical SMILES |
CNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C88H144N24O21/c1-48(2)37-62(77(122)98-46-73(119)112-36-20-27-69(112)87(132)105-61(26-15-19-35-92)80(125)104-60(25-14-18-34-91)79(124)103-59(24-13-17-33-90)78(123)102-58(75(94)120)23-12-16-32-89)106-81(126)63(38-49(3)4)107-83(128)65(40-53-28-30-55(115)31-29-53)100-72(118)45-97-76(121)51(7)99-86(131)68(47-113)110-84(129)67(42-70(93)116)108-82(127)64(39-50(5)6)109-88(133)74(52(8)114)111-85(130)66(101-71(117)44-95-9)41-54-43-96-57-22-11-10-21-56(54)57/h10-11,21-22,28-31,43,48-52,58-69,74,95-96,113-115H,12-20,23-27,32-42,44-47,89-92H2,1-9H3,(H2,93,116)(H2,94,120)(H,97,121)(H,98,122)(H,99,131)(H,100,118)(H,101,117)(H,102,123)(H,103,124)(H,104,125)(H,105,132)(H,106,126)(H,107,128)(H,108,127)(H,109,133)(H,110,129)(H,111,130)/t51-,52+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1
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| InChIKey |
NJTGSJIMKWTQSD-GFUYWXIVSA-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
Protein ID: PT01961, Galanin receptor type 1
Protein ID: PT01960, Galanin receptor type 2