General Information of the Compound
| Compound ID |
CP0553032
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| Compound Name |
1-cyano-2-phenyl-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]guanidine
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| Structure |
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| Formula |
C25H24N8
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| Molecular Weight |
436.523
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| Canonical SMILES |
N#C\N=C(/Nc1ccccc1)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C25H24N8/c26-16-28-25(31-20-8-2-1-3-9-20)32-21-10-4-6-18(14-21)19-7-5-13-33(15-19)24-22-11-12-27-23(22)29-17-30-24/h1-4,6,8-12,14,17,19H,5,7,13,15H2,(H,27,29,30)(H2,28,31,32)
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| InChIKey |
ODXHHHKQTKZZSO-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