General Information of the Compound
| Compound ID |
CP0160016
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| Compound Name |
5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-dihydrospiro[indole-3,4'-piperidine]
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| Structure |
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| Formula |
C18H18FN5
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| Molecular Weight |
323.375
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| Canonical SMILES |
Fc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C18H18FN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)
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| InChIKey |
MYTFOQDJGMLDRY-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