General Information of the Compound
| Compound ID |
CP0388285
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| Compound Name |
methyl 4-benzyl-1-[(3S)-3-(cyclobutanecarbonylamino)-3-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C29H35F3N2O3
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| Molecular Weight |
516.604
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| Canonical SMILES |
COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H35F3N2O3/c1-37-27(36)28(20-21-6-3-2-4-7-21)15-18-34(19-16-28)17-14-25(33-26(35)23-8-5-9-23)22-10-12-24(13-11-22)29(30,31)32/h2-4,6-7,10-13,23,25H,5,8-9,14-20H2,1H3,(H,33,35)/t25-/m0/s1
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| InChIKey |
UBWCMWMCMLDEKJ-VWLOTQADSA-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