General Information of the Compound
| Compound ID |
CP0479937
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| Compound Name |
N-[2-[[(3R)-1-[1-(4-benzoylpiperazin-1-yl)propan-2-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H34F3N5O3
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| Molecular Weight |
545.606
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| Canonical SMILES |
CC(CN1CCN(CC1)C(=O)c1ccccc1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F3N5O3/c1-20(18-34-12-14-35(15-13-34)27(39)21-6-3-2-4-7-21)36-11-10-24(19-36)33-25(37)17-32-26(38)22-8-5-9-23(16-22)28(29,30)31/h2-9,16,20,24H,10-15,17-19H2,1H3,(H,32,38)(H,33,37)/t20?,24-/m1/s1
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| InChIKey |
FPRIQQJLAIFZQG-PIFIWZBESA-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