General Information of the Compound
| Compound ID |
CP0434505
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| Compound Name |
5-(3-(2-acetamidoethyl)-5-methoxy-1H-indole-2-carbonyloxy)pentyl 3-(2-acetamidoethyl)-5-methoxy-1Hindole-2-carboxylate
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| Structure |
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| Formula |
C33H40N4O8
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| Molecular Weight |
620.703
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| Canonical SMILES |
COc1ccc2[nH]c(C(=O)OCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C33H40N4O8/c1-20(38)34-14-12-24-26-18-22(42-3)8-10-28(26)36-30(24)32(40)44-16-6-5-7-17-45-33(41)31-25(13-15-35-21(2)39)27-19-23(43-4)9-11-29(27)37-31/h8-11,18-19,36-37H,5-7,12-17H2,1-4H3,(H,34,38)(H,35,39)
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| InChIKey |
KAUOFSPAZHOZNW-UHFFFAOYSA-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B