General Information of the Compound
| Compound ID |
CP0415510
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| Compound Name |
[4-(3-chlorophenyl)phenyl]-(2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
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| Structure |
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| Formula |
C23H21ClN4O
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| Molecular Weight |
404.901
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CC2CN(CC2C1)c1ncccn1
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| InChI |
InChI=1S/C23H21ClN4O/c24-21-4-1-3-18(11-21)16-5-7-17(8-6-16)22(29)27-12-19-14-28(15-20(19)13-27)23-25-9-2-10-26-23/h1-11,19-20H,12-15H2
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| InChIKey |
DGVPWHORJWLKNC-UHFFFAOYSA-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