General Information of the Compound
| Compound ID |
CP0436658
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C34H31FN4O3
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| Molecular Weight |
562.645
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1
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| InChI |
InChI=1S/C34H31FN4O3/c35-29-15-23(20-4-5-20)14-22-9-13-39(34(41)32(22)29)31-3-1-2-25(28(31)17-40)26-6-10-36-33-27(26)16-30(37-33)21-7-11-38(12-8-21)24-18-42-19-24/h1-3,6-7,9-10,13-16,20,24,40H,4-5,8,11-12,17-19H2,(H,36,37)
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| InChIKey |
HRMQWRUDFNAJDR-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