General Information of the Compound
| Compound ID |
CP0115100
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| Compound Name |
2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-3-yl]-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C21H21ClN6O
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| Molecular Weight |
408.893
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| Canonical SMILES |
CN[C@H]1CCN(C1)c1ccc(cn1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H21ClN6O/c1-23-16-8-9-26(13-16)19-7-6-18(10-24-19)27-11-14-12-28(25-20(14)21(27)29)17-4-2-15(22)3-5-17/h2-7,10,12,16,23H,8-9,11,13H2,1H3/t16-/m0/s1
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| InChIKey |
RMCVXAFEIKMTFA-INIZCTEOSA-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