General Information of the Compound
| Compound ID |
CP0570224
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| Compound Name |
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-[(E)-4-methoxybut-2-enoyl]piperazin-2-yl]acetonitrile
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| Structure |
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| Formula |
C34H40ClN7O3
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| Molecular Weight |
630.193
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| Canonical SMILES |
COC\C=C\C(=O)N1CCN(C[C@@H]1CC#N)c1nc(OC[C@@H]2CCCN2C)nc2CN(CCc12)c1cccc2cccc(Cl)c12
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| InChI |
InChI=1S/C34H40ClN7O3/c1-39-16-5-9-26(39)23-45-34-37-29-22-40(30-11-4-8-24-7-3-10-28(35)32(24)30)17-14-27(29)33(38-34)41-18-19-42(25(21-41)13-15-36)31(43)12-6-20-44-2/h3-4,6-8,10-12,25-26H,5,9,13-14,16-23H2,1-2H3/b12-6+/t25-,26-/m0/s1
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| InChIKey |
MVFNWTXBVIDVFN-VHNSWPBLSA-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