General Information of the Compound
| Compound ID |
CP0550091
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| Compound Name |
(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
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| Formula |
C22H20N6
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| Molecular Weight |
368.444
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| Canonical SMILES |
Cn1cc(cn1)-c1n[nH]c2ccc(N[C@@H]3CCCc4cc(ccc34)C#N)cc12
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| InChI |
InChI=1S/C22H20N6/c1-28-13-16(12-24-28)22-19-10-17(6-8-21(19)26-27-22)25-20-4-2-3-15-9-14(11-23)5-7-18(15)20/h5-10,12-13,20,25H,2-4H2,1H3,(H,26,27)/t20-/m1/s1
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| InChIKey |
FTBZYYASIWGXBA-HXUWFJFHSA-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