General Information of the Compound
| Compound ID |
CP0483474
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| Compound Name |
2-[3-[2-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
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| Structure |
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| Formula |
C32H25FN4O2
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| Molecular Weight |
516.576
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| Canonical SMILES |
Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C32H25FN4O2/c33-27-15-21(18-7-8-18)13-20-10-12-37(32(39)30(20)27)29-6-2-5-23(26(29)17-38)24-9-11-35-31-25(24)16-28(36-31)19-3-1-4-22(34)14-19/h1-6,9-16,18,38H,7-8,17,34H2,(H,35,36)
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| InChIKey |
VUJDPKBYHDMWAF-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