General Information of the Compound
| Compound ID |
CP0369776
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| Compound Name |
2-[3-[4-amino-6-[(1-cyclopropylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
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| Structure |
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| Formula |
C28H25FN8O2
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| Molecular Weight |
524.56
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| Canonical SMILES |
Nc1nc(Nc2cnn(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C28H25FN8O2/c29-22-11-17(15-4-5-15)10-16-8-9-36(26(39)24(16)22)23-3-1-2-20(21(23)14-38)25-33-27(30)35-28(34-25)32-18-12-31-37(13-18)19-6-7-19/h1-3,8-13,15,19,38H,4-7,14H2,(H3,30,32,33,34,35)
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| InChIKey |
VXTZJDZIRRNTKP-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