General Information of the Compound
| Compound ID |
CP0496937
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H23ClF3N5O2
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| Molecular Weight |
469.895
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| Canonical SMILES |
Nc1cc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C21H23ClF3N5O2/c22-16-3-1-12(7-18(16)27)10-30-6-5-14(11-30)29-19(31)9-28-20(32)15-8-13(21(23,24)25)2-4-17(15)26/h1-4,7-8,14H,5-6,9-11,26-27H2,(H,28,32)(H,29,31)/t14-/m1/s1
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| InChIKey |
BMCUQLLRSDQFOU-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