General Information of the Compound
| Compound ID |
CP0960973
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| Compound Name |
1-Methylcyclopropyl syn-9-[[6-[(2-chloro-4-cyanophenyl)amino]-5-fluoro-4-pyrimidinyl]oxy]-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Formula |
C23H23ClFN5O4
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| Molecular Weight |
487.919
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| Canonical SMILES |
CC1(OC(=O)N2C[C@H]3COC[C@@H](C2)[C@@H]3Oc2ncnc(Nc3ccc(C#N)cc3Cl)c2F)CC1
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| InChI |
InChI=1S/C23H23ClFN5O4/c1-23(4-5-23)34-22(31)30-8-14-10-32-11-15(9-30)19(14)33-21-18(25)20(27-12-28-21)29-17-3-2-13(7-26)6-16(17)24/h2-3,6,12,14-15,19H,4-5,8-11H2,1H3,(H,27,28,29)/t14-,15+,19+
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| InChIKey |
GGGQAINRVWEOJV-QWHZDKJVSA-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