General Information of the Compound
| Compound ID |
CP0572653
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| Compound Name |
3-amino-6-[2-chloro-4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C29H39ClN6O3
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| Molecular Weight |
555.123
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| Canonical SMILES |
Nc1ncc(nc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(CN2CCC(CC2)N2CCOCC2)cc1Cl
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| InChI |
InChI=1S/C29H39ClN6O3/c30-23-17-20(19-35-11-3-21(4-12-35)36-13-15-39-16-14-36)1-2-22(23)24-18-32-26(31)25(33-24)27(37)34-28-5-8-29(38,9-6-28)10-7-28/h1-2,17-18,21,38H,3-16,19H2,(H2,31,32)(H,34,37)
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| InChIKey |
RIGIHWPKCOSNDD-UHFFFAOYSA-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