General Information of the Compound
| Compound ID |
CP0493288
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| Compound Name |
ethyl 4-[[(2S)-1-[(1-ethylpyrrolidin-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C25H32N4O5
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| Molecular Weight |
468.554
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1
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| InChI |
InChI=1S/C25H32N4O5/c1-3-29-14-13-20(16-29)26-23(31)22(15-17-5-11-21(30)12-6-17)28-25(33)27-19-9-7-18(8-10-19)24(32)34-4-2/h5-12,20,22,30H,3-4,13-16H2,1-2H3,(H,26,31)(H2,27,28,33)/t20?,22-/m0/s1
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| InChIKey |
AMISGKITNKHXTK-IAXKEJLGSA-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