General Information of the Compound
| Compound ID |
CP0422304
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| Compound Name |
cyclopropylmethyl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C32H36N4O6
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| Molecular Weight |
572.662
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| Canonical SMILES |
Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)OCC2CC2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1
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| InChI |
InChI=1S/C32H36N4O6/c37-27-11-3-21(4-12-27)17-29(30(39)33-26-15-16-36(19-26)18-22-5-13-28(38)14-6-22)35-32(41)34-25-9-7-24(8-10-25)31(40)42-20-23-1-2-23/h3-14,23,26,29,37-38H,1-2,15-20H2,(H,33,39)(H2,34,35,41)/t26?,29-/m0/s1
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| InChIKey |
WUQAXDTXXDUDGH-BTMGADRYSA-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