General Information of the Compound
| Compound ID |
CP0965079
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| Compound Name |
1-[(3R,5S)-3,5-dimethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-1-yl]-2-methyl-propan-1-one
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| Structure |
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| Formula |
C25H35N9O
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| Molecular Weight |
477.617
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| Canonical SMILES |
CC(C)C(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1
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| InChI |
InChI=1S/C25H35N9O/c1-15(2)24(35)33-13-17(4)34(18(5)14-33)25-28-11-20-23(29-25)22(31-30-20)19-6-7-21(27-10-19)32-9-8-26-16(3)12-32/h6-7,10-11,15-18,26H,8-9,12-14H2,1-5H3,(H,30,31)/t16-,17-,18+/m1/s1
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| InChIKey |
QXRCZGTZEWEMCZ-KURKYZTESA-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