General Information of the Compound
| Compound ID |
CP0510421
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| Compound Name |
1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3)c12
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| InChI |
InChI=1S/C19H21N5O/c1-13-11-20-17-16(13)18(22-12-21-17)24-9-7-14(8-10-24)19(25)23-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10H2,1H3,(H,23,25)(H,20,21,22)
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| InChIKey |
VHPPTKHCXNGNDC-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