General Information of the Compound
| Compound ID |
CP0893150
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| Compound Name |
2-(3-Methoxyphenyl)-6-(((S)-1-((S)-1-methoxypropan-2-yl)piperidin-3-yl)methyl)-5-(2-methylpyridin-3-yl)-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C28H34N6O3
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| Molecular Weight |
502.619
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| Canonical SMILES |
COC[C@H](C)N1CCC[C@H](Cn2c(-c3cccnc3C)nc3cn(-c4cccc(OC)c4)nc3c2=O)C1
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| InChI |
InChI=1S/C28H34N6O3/c1-19(18-36-3)32-13-7-8-21(15-32)16-33-27(24-11-6-12-29-20(24)2)30-25-17-34(31-26(25)28(33)35)22-9-5-10-23(14-22)37-4/h5-6,9-12,14,17,19,21H,7-8,13,15-16,18H2,1-4H3/t19-,21-/m0/s1
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| InChIKey |
GUKFCDIGTOYSAN-FPOVZHCZSA-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