General Information of the Compound
| Compound ID |
CP0559840
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| Compound Name |
8-[4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalene-1-carbonitrile
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| Structure |
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| Formula |
C33H36N8O2
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| Molecular Weight |
576.705
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| Canonical SMILES |
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2cccc(C#N)c12
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| InChI |
InChI=1S/C33H36N8O2/c1-3-30(42)41-18-17-40(20-25(41)12-14-34)32-27-13-16-39(29-11-5-8-23-7-4-9-24(19-35)31(23)29)21-28(27)36-33(37-32)43-22-26-10-6-15-38(26)2/h3-5,7-9,11,25-26H,1,6,10,12-13,15-18,20-22H2,2H3/t25-,26-/m0/s1
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| InChIKey |
DOUGHPWXWASDCS-UIOOFZCWSA-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