General Information of the Compound
| Compound ID |
CP0572231
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| Compound Name |
4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C32H30ClFN6O2
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| Molecular Weight |
585.083
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| Canonical SMILES |
CN1CCC[C@H]1COc1nc(N2CCn3c(C2)cnc3C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C32H30ClFN6O2/c1-3-27-35-16-21-17-39(11-12-40(21)27)31-25-15-26(33)28(24-14-22(41)13-19-7-4-5-9-23(19)24)29(34)30(25)36-32(37-31)42-18-20-8-6-10-38(20)2/h3-5,7,9,13-16,20,41H,1,6,8,10-12,17-18H2,2H3/t20-/m0/s1
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| InChIKey |
JKFCCPIPXITTGB-FQEVSTJZSA-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