General Information of the Compound
| Compound ID |
CP0349547
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| Compound Name |
1-[4-[7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C30H36N6O3/c1-3-28(38)34-13-15-35(16-14-34)29-25-10-12-36(27-18-23(37)17-21-7-4-5-9-24(21)27)19-26(25)31-30(32-29)39-20-22-8-6-11-33(22)2/h3-5,7,9,17-18,22,37H,1,6,8,10-16,19-20H2,2H3/t22-/m0/s1
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| InChIKey |
GQSSXKRUKAMOQS-QFIPXVFZSA-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
Protein ID: PT03462, GTPase KRas
Cell-based Assay