General Information of the Compound
| Compound ID |
CP0077310
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| Compound Name |
2-iodo-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H22F3IN2O
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| Molecular Weight |
502.318
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| Canonical SMILES |
CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1I)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C21H22F3IN2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)25)21(22,23)24/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1
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| InChIKey |
NVMKECIXYGQWGJ-HKUYNNGSSA-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