General Information of the Compound
| Compound ID |
CP0550467
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| Compound Name |
(4R)-8-[5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
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| Structure |
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| Formula |
C18H23ClN6S
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| Molecular Weight |
390.944
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| Canonical SMILES |
N[C@@H]1CCCC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)cn1
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| InChI |
InChI=1S/C18H23ClN6S/c19-16-12(3-7-22-17(16)21)26-15-11-23-14(10-24-15)25-8-5-18(6-9-25)4-1-2-13(18)20/h3,7,10-11,13H,1-2,4-6,8-9,20H2,(H2,21,22)/t13-/m1/s1
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| InChIKey |
CQASZSQCUYWGME-CYBMUJFWSA-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