General Information of the Compound
| Compound ID |
CP0572904
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| Compound Name |
(5S)-5-[[3-(2-morpholin-4-ylpyridin-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
N#Cc1ccc2[C@H](CCCc2c1)Nc1ccc2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
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| InChI |
InChI=1S/C27H26N6O/c28-17-18-4-6-22-19(14-18)2-1-3-24(22)30-21-5-7-25-23(16-21)27(32-31-25)20-8-9-29-26(15-20)33-10-12-34-13-11-33/h4-9,14-16,24,30H,1-3,10-13H2,(H,31,32)/t24-/m0/s1
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| InChIKey |
WHEOROSMGIWJSB-DEOSSOPVSA-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