General Information of the Compound
| Compound ID |
CP0768975
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| Compound Name |
2-(4-(4-(1H-indol-3-yl)piperidine-1-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 |
C25H26N6O2
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| Molecular Weight |
442.523
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C25H26N6O2/c1-15-19(14-27-31(15)25-28-22-8-4-6-18(22)23(32)29-25)24(33)30-11-9-16(10-12-30)20-13-26-21-7-3-2-5-17(20)21/h2-3,5,7,13-14,16,26H,4,6,8-12H2,1H3,(H,28,29,32)
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| InChIKey |
UBFAMEVWEYZMJR-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