General Information of the Compound
| Compound ID |
CP0499033
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| Compound Name |
(+/-)-2-(2-Hydroxymethyl-5-methoxyindolin-1-ylmethyl)-melatonin
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| Structure |
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
COc1ccc2N(Cc3[nH]c4ccc(OC)cc4c3CCNC(C)=O)C(CO)Cc2c1
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| InChI |
InChI=1S/C24H29N3O4/c1-15(29)25-9-8-20-21-12-19(31-3)4-6-22(21)26-23(20)13-27-17(14-28)10-16-11-18(30-2)5-7-24(16)27/h4-7,11-12,17,26,28H,8-10,13-14H2,1-3H3,(H,25,29)
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| InChIKey |
DLZUYPVVZJRYNX-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