General Information of the Compound
| Compound ID |
CP0474370
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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-ethylbenzamide
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| Structure |
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| Formula |
C31H34N6O4
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| Molecular Weight |
554.651
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| Canonical SMILES |
CCNC(=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/C31H34N6O4/c1-2-33-29(39)24-9-11-25(12-10-24)35-31(41)36-28(17-21-7-13-27(38)14-8-21)30(40)34-26-15-16-37(20-26)19-23-5-3-22(18-32)4-6-23/h3-14,26,28,38H,2,15-17,19-20H2,1H3,(H,33,39)(H,34,40)(H2,35,36,41)/t26?,28-/m0/s1
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| InChIKey |
LKIPSYLMJNHCQL-RXBHZZDJSA-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