General Information of the Compound
| Compound ID |
CP0907075
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| Compound Name |
1-(8-[4-[(5-Isopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl)prop-2-en-1-one
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| Formula |
C26H39N9O
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| Molecular Weight |
493.66
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| Canonical SMILES |
C=CC(=O)N1CCC2(CCN(c3nc(Nc4cc(C(C)C)[nH]n4)cc(N4CCN(C)CC4)n3)CC2)C1
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| InChI |
InChI=1S/C26H39N9O/c1-5-24(36)35-11-8-26(18-35)6-9-34(10-7-26)25-28-21(27-22-16-20(19(2)3)30-31-22)17-23(29-25)33-14-12-32(4)13-15-33/h5,16-17,19H,1,6-15,18H2,2-4H3,(H2,27,28,29,30,31)
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| InChIKey |
PPNGNWHDUJIBOF-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