General Information of the Compound
| Compound ID |
CP0427178
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(cyclopropylmethyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C33H36F6N2O
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| Molecular Weight |
590.652
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| Canonical SMILES |
C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C33H36F6N2O/c1-21-20-41(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,40,42)/t21-,27?,30?,31+/m0/s1
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| InChIKey |
JZQUTVIGHZYROK-SKDYKVSPSA-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT04128, C-C chemokine receptor type 2