General Information of the Compound
| Compound ID |
CP0564488
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| Compound Name |
4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-3,4-dihydro-2H-chromene-7-carbonitrile
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| Structure |
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| Formula |
C22H17N5O
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| Molecular Weight |
367.412
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| Canonical SMILES |
N#Cc1ccc2C(CCOc2c1)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
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| InChI |
InChI=1S/C22H17N5O/c23-13-14-1-3-17-19(7-10-28-21(17)11-14)25-16-2-4-20-18(12-16)22(27-26-20)15-5-8-24-9-6-15/h1-6,8-9,11-12,19,25H,7,10H2,(H,26,27)
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| InChIKey |
VWXCQCAVLRAQIE-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