General Information of the Compound
| Compound ID |
CP0404942
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H25F3N4O3
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| Molecular Weight |
450.461
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| Canonical SMILES |
COc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H25F3N4O3/c1-32-17-5-2-14(3-6-17)12-29-9-8-16(13-29)28-20(30)11-27-21(31)18-10-15(22(23,24)25)4-7-19(18)26/h2-7,10,16H,8-9,11-13,26H2,1H3,(H,27,31)(H,28,30)/t16-/m1/s1
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| InChIKey |
VMFLXCOSNOBSCD-MRXNPFEDSA-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