General Information of the Compound
| Compound ID |
CP0115541
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| Compound Name |
4-amino-N-(1-pyridin-2-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C19H23N7O
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| Molecular Weight |
365.441
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| Canonical SMILES |
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccn1
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| InChI |
InChI=1S/C19H23N7O/c1-13(15-4-2-3-8-21-15)25-18(27)19(20)6-10-26(11-7-19)17-14-5-9-22-16(14)23-12-24-17/h2-5,8-9,12-13H,6-7,10-11,20H2,1H3,(H,25,27)(H,22,23,24)
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| InChIKey |
ZBHPPMORCCNMSS-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