General Information of the Compound
| Compound ID |
CP0427838
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-nitrobenzamide
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| Structure |
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| Formula |
C20H22ClN5O4
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| Molecular Weight |
431.88
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| Canonical SMILES |
Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H22ClN5O4/c21-14-3-1-13(2-4-14)11-25-8-7-15(12-25)24-19(27)10-23-20(28)17-9-16(26(29)30)5-6-18(17)22/h1-6,9,15H,7-8,10-12,22H2,(H,23,28)(H,24,27)/t15-/m1/s1
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| InChIKey |
ARJKTLVBNOCOHR-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