General Information of the Compound
| Compound ID |
CP0417386
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| Compound Name |
ethyl 4-[[(2S)-1-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C31H34N4O7
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| Molecular Weight |
574.634
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4OCOc4c3)C2)cc1
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| InChI |
InChI=1S/C31H34N4O7/c1-2-40-30(38)22-6-8-23(9-7-22)33-31(39)34-26(15-20-3-10-25(36)11-4-20)29(37)32-24-13-14-35(18-24)17-21-5-12-27-28(16-21)42-19-41-27/h3-12,16,24,26,36H,2,13-15,17-19H2,1H3,(H,32,37)(H2,33,34,39)/t24?,26-/m0/s1
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| InChIKey |
VKXFSAYDXXXNGC-JKGBFCRXSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3