General Information of the Compound
| Compound ID |
CP0479936
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| Compound Name |
(R)-N-(2-(1-(2-(4-(3-methylbenzoyl)piperazin-1-yl)ethyl)pyrrolidin-3-ylamino)-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 |
Cc1cccc(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H34F3N5O3/c1-20-4-2-6-22(16-20)27(39)36-14-12-34(13-15-36)10-11-35-9-8-24(19-35)33-25(37)18-32-26(38)21-5-3-7-23(17-21)28(29,30)31/h2-7,16-17,24H,8-15,18-19H2,1H3,(H,32,38)(H,33,37)/t24-/m1/s1
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| InChIKey |
NVHAHTZSEKLNOR-XMMPIXPASA-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