General Information of the Compound
| Compound ID |
CP0546246
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| Compound Name |
N-[2-[[(3R)-1-[(2-naphthalen-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H28F3N3O2
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| Molecular Weight |
531.578
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1
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| InChI |
InChI=1S/C31H28F3N3O2/c32-31(33,34)26-10-5-9-24(17-26)30(39)35-18-29(38)36-27-14-15-37(20-27)19-25-8-3-4-11-28(25)23-13-12-21-6-1-2-7-22(21)16-23/h1-13,16-17,27H,14-15,18-20H2,(H,35,39)(H,36,38)/t27-/m1/s1
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| InChIKey |
SJXPIAWTWLDZLQ-HHHXNRCGSA-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