General Information of the Compound
| Compound ID |
CP0962060
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| Compound Name |
1-(1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C23H22N6O2
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| Molecular Weight |
414.469
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| Canonical SMILES |
N#CC1(c2ccccc2)CCN(C(=O)c2cnn(-c3nc4c(c(=O)[nH]3)CCC4)c2)CC1
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| InChI |
InChI=1S/C23H22N6O2/c24-15-23(17-5-2-1-3-6-17)9-11-28(12-10-23)21(31)16-13-25-29(14-16)22-26-19-8-4-7-18(19)20(30)27-22/h1-3,5-6,13-14H,4,7-12H2,(H,26,27,30)
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| InChIKey |
NKGJGVYTQADDEB-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