General Information of the Compound
| Compound ID |
CP0427831
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(3-amino-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H24F3N5O3
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| Molecular Weight |
451.449
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| Canonical SMILES |
Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1O
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| InChI |
InChI=1S/C21H24F3N5O3/c22-21(23,24)13-2-3-16(25)15(8-13)20(32)27-9-19(31)28-14-5-6-29(11-14)10-12-1-4-18(30)17(26)7-12/h1-4,7-8,14,30H,5-6,9-11,25-26H2,(H,27,32)(H,28,31)/t14-/m1/s1
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| InChIKey |
SGCIAOLKXTXQDD-CQSZACIVSA-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