General Information of the Compound
| Compound ID |
CP0507684
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| Compound Name |
(R)-N-(2-(1-(2-(1-(4-ethylbenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H37F3N4O3
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| Molecular Weight |
558.645
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| Canonical SMILES |
CCc1ccc(cc1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H37F3N4O3/c1-2-21-6-8-23(9-7-21)29(40)37-16-11-22(12-17-37)10-14-36-15-13-26(20-36)35-27(38)19-34-28(39)24-4-3-5-25(18-24)30(31,32)33/h3-9,18,22,26H,2,10-17,19-20H2,1H3,(H,34,39)(H,35,38)/t26-/m1/s1
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| InChIKey |
PPWKTPLMIHJMGU-AREMUKBSSA-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