General Information of the Compound
| Compound ID |
CP0525712
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| Compound Name |
2-amino-5-chloro-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
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| Structure |
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| Formula |
C20H22Cl2N4O2
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| Molecular Weight |
421.328
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| Canonical SMILES |
Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C20H22Cl2N4O2/c21-14-3-1-13(2-4-14)11-26-8-7-16(12-26)25-19(27)10-24-20(28)17-9-15(22)5-6-18(17)23/h1-6,9,16H,7-8,10-12,23H2,(H,24,28)(H,25,27)/t16-/m1/s1
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| InChIKey |
ZUYRKOKWJXYTBM-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