General Information of the Compound
| Compound ID |
CP0468088
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| Compound Name |
(R)-2-Amino-1-(4-{2-[(R)-2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethylamino}-piperidin-1-yl)-3-(4-hydroxy-phenyl)-propan-1-one
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| Structure |
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| Formula |
C35H41Cl2N5O4
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| Molecular Weight |
666.65
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N1CCN([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)CNC1CCN(CC1)C(=O)[C@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C35H41Cl2N5O4/c1-22-15-23(2)17-26(16-22)34(45)41-13-14-42(32(21-41)25-5-8-29(36)30(37)19-25)33(44)20-39-27-9-11-40(12-10-27)35(46)31(38)18-24-3-6-28(43)7-4-24/h3-8,15-17,19,27,31-32,39,43H,9-14,18,20-21,38H2,1-2H3/t31-,32+/m1/s1
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| InChIKey |
QMQONIJKFSQSNN-ZWXJPIIXSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor