General Information of the Compound
| Compound ID |
CP0398625
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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-phenylbenzamide
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| Structure |
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| Formula |
C35H34N6O4
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| Molecular Weight |
602.695
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| Canonical SMILES |
Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1
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| InChI |
InChI=1S/C35H34N6O4/c36-21-25-6-8-26(9-7-25)22-41-19-18-30(23-41)38-34(44)32(20-24-10-16-31(42)17-11-24)40-35(45)39-29-14-12-27(13-15-29)33(43)37-28-4-2-1-3-5-28/h1-17,30,32,42H,18-20,22-23H2,(H,37,43)(H,38,44)(H2,39,40,45)/t30?,32-/m0/s1
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| InChIKey |
HOTHCRDGQDBOOH-AUPVMFHISA-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