General Information of the Compound
| Compound ID |
CP0951347
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| Compound Name |
2-(4-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CC(O)(c2ccccc2)C3)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C25H27N5O3/c1-15-20(14-26-30(15)24-27-21-9-5-8-19(21)22(31)28-24)23(32)29-17-10-11-18(29)13-25(33,12-17)16-6-3-2-4-7-16/h2-4,6-7,14,17-18,33H,5,8-13H2,1H3,(H,27,28,31)
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| InChIKey |
KVDXYOXQVATLLQ-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