General Information of the Compound
| Compound ID |
CP0455901
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| Compound Name |
4-[[(2S)-1-[[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]-N,N-diethylbenzamide
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| Structure |
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| Formula |
C33H38N6O4
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| Molecular Weight |
582.705
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1
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| InChI |
InChI=1S/C33H38N6O4/c1-3-39(4-2)32(42)26-11-13-27(14-12-26)36-33(43)37-30(19-23-9-15-29(40)16-10-23)31(41)35-28-17-18-38(22-28)21-25-7-5-24(20-34)6-8-25/h5-16,28,30,40H,3-4,17-19,21-22H2,1-2H3,(H,35,41)(H2,36,37,43)/t28?,30-/m0/s1
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| InChIKey |
CVDCILQPWZQPLG-TXDWVUBVSA-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