General Information of the Compound
| Compound ID |
CP0955945
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| Compound Name |
1-(7-[4-[(5-Isopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl)prop-2-en-1-one
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| Formula |
C25H37N9O
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| Molecular Weight |
479.633
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| Canonical SMILES |
C=CC(=O)N1CC2(CCN(c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)CC2)C1
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| InChI |
InChI=1S/C25H37N9O/c1-5-23(35)34-16-25(17-34)6-8-33(9-7-25)24-27-20(26-21-14-19(18(2)3)29-30-21)15-22(28-24)32-12-10-31(4)11-13-32/h5,14-15,18H,1,6-13,16-17H2,2-4H3,(H2,26,27,28,29,30)
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| InChIKey |
IUZDVTLVICWAFR-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