General Information of the Compound
| Compound ID |
CP0572594
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| Compound Name |
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
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| Structure |
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| Formula |
C33H33FN6O
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| Molecular Weight |
548.666
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| Canonical SMILES |
Fc1c(ncc2c(nc(OCC34CCCN3CCC4)nc12)N1C[C@@H]2CC[C@H](C1)N2)-c1cccc2cccc(C#C)c12
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| InChI |
InChI=1S/C33H33FN6O/c1-2-21-7-3-8-22-9-4-10-25(27(21)22)29-28(34)30-26(17-35-29)31(39-18-23-11-12-24(19-39)36-23)38-32(37-30)41-20-33-13-5-15-40(33)16-6-14-33/h1,3-4,7-10,17,23-24,36H,5-6,11-16,18-20H2/t23-,24+
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| InChIKey |
BCLKNFZNEWVYNN-PSWAGMNNSA-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