General Information of the Compound
| Compound ID |
CP0377741
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| Compound Name |
N-[1-[(4-acetamido-4-phenylpiperidin-1-yl)-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-4-phenylpiperidin-4-yl]acetamide
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| Structure |
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| Formula |
C47H51Cl2F6N7O3
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| Molecular Weight |
946.865
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| Canonical SMILES |
CC(=O)NC1(CCN(CC1)N(CC(=O)N1CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1c1ccc(Cl)c(Cl)c1)N1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C47H51Cl2F6N7O3/c1-32(63)56-44(36-9-5-3-6-10-36)15-19-59(20-16-44)62(60-21-17-45(18-22-60,57-33(2)64)37-11-7-4-8-12-37)31-43(65)61-24-23-58(30-42(61)35-13-14-40(48)41(49)27-35)29-34-25-38(46(50,51)52)28-39(26-34)47(53,54)55/h3-14,25-28,42H,15-24,29-31H2,1-2H3,(H,56,63)(H,57,64)
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| InChIKey |
LWDCLJRUPQLVOT-UHFFFAOYSA-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