General Information of the Compound
| Compound ID |
CP0493287
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| Compound Name |
ethyl 4-[[(2S)-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C27H34N4O5
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| Molecular Weight |
494.592
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1
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| InChI |
InChI=1S/C27H34N4O5/c1-2-36-26(34)20-7-9-21(10-8-20)29-27(35)30-24(15-18-5-11-23(32)12-6-18)25(33)28-22-13-14-31(17-22)16-19-3-4-19/h5-12,19,22,24,32H,2-4,13-17H2,1H3,(H,28,33)(H2,29,30,35)/t22?,24-/m0/s1
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| InChIKey |
DPTWSDMDTMQUMF-GITCGBDTSA-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