General Information of the Compound
| Compound ID |
CP0390965
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| Compound Name |
N-[2-[[(3R)-1-[1-(4-benzoylpiperazin-1-yl)butan-2-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H36F3N5O3
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| Molecular Weight |
559.633
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| Canonical SMILES |
CCC(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/C29H36F3N5O3/c1-2-25(20-35-13-15-36(16-14-35)28(40)21-7-4-3-5-8-21)37-12-11-24(19-37)34-26(38)18-33-27(39)22-9-6-10-23(17-22)29(30,31)32/h3-10,17,24-25H,2,11-16,18-20H2,1H3,(H,33,39)(H,34,38)/t24-,25?/m1/s1
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| InChIKey |
CTXCLYPEULYDKG-IKOFQBKESA-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