General Information of the Compound
| Compound ID |
CP0571951
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| Compound Name |
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-ethynylnaphthalen-2-ol
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| Structure |
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| Formula |
C33H33FN6O2
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| Molecular Weight |
564.665
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| Canonical SMILES |
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2C[C@@H]3CC[C@H](C2)N3)c2c(cccc2c1)C#C
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| InChI |
InChI=1S/C33H33FN6O2/c1-2-20-6-3-7-21-14-24(41)15-25(27(20)21)29-28(34)30-26(16-35-29)31(39-17-22-8-9-23(18-39)36-22)38-32(37-30)42-19-33-10-4-12-40(33)13-5-11-33/h1,3,6-7,14-16,22-23,36,41H,4-5,8-13,17-19H2/t22-,23+
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| InChIKey |
JFYPNKVDMZEUOJ-ZRZAMGCNSA-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