General Information of the Compound
| Compound ID |
CP0549322
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| Compound Name |
(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-1-ethylindol-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C20H24ClN5O
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| Molecular Weight |
385.899
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| Canonical SMILES |
CCn1c(cc2cc(Cl)ccc12)C1CCCN(C1)C(=O)c1cn(C)nc1N
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| InChI |
InChI=1S/C20H24ClN5O/c1-3-26-17-7-6-15(21)9-14(17)10-18(26)13-5-4-8-25(11-13)20(27)16-12-24(2)23-19(16)22/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H2,22,23)
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| InChIKey |
DIEDLVNTPMBIMI-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