General Information of the Compound
| Compound ID |
CP0382119
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H25F3N4O4
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| Molecular Weight |
466.46
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| Canonical SMILES |
COc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O
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| InChI |
InChI=1S/C22H25F3N4O4/c1-33-19-8-13(2-5-18(19)30)11-29-7-6-15(12-29)28-20(31)10-27-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15,30H,6-7,10-12,26H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1
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| InChIKey |
NDAHDVZAYCIMND-OAHLLOKOSA-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