General Information of the Compound
| Compound ID |
CP0535103
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| Compound Name |
2-[(2S)-4-[7-(8-ethylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
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| Structure |
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| Formula |
C34H41N7O2
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| Molecular Weight |
579.749
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| Canonical SMILES |
CCc1cccc2cccc(N3CCc4c(C3)nc(OC[C@@H]3CCCN3C)nc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)c12
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| InChI |
InChI=1S/C34H41N7O2/c1-4-24-9-6-10-25-11-7-13-30(32(24)25)39-18-15-28-29(22-39)36-34(43-23-27-12-8-17-38(27)3)37-33(28)40-19-20-41(31(42)5-2)26(21-40)14-16-35/h5-7,9-11,13,26-27H,2,4,8,12,14-15,17-23H2,1,3H3/t26-,27-/m0/s1
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| InChIKey |
QHSWWHCSXWHQQP-SVBPBHIXSA-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