General Information of the Compound
| Compound ID |
CP0918112
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| Compound Name |
1-(3-(7-(Diethylamino)-2-oxo-2H-chromene-3-carboxamido)propyl)-N-((3-endo)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C34H42N6O4
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| Molecular Weight |
598.748
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(=O)NCCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)N5C)c4ccccc43)c(=O)oc2c1
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| InChI |
InChI=1S/C34H42N6O4/c1-4-39(5-2)26-15-14-22-18-28(34(43)44-30(22)21-26)32(41)35-16-9-17-40-29-13-7-6-12-27(29)31(37-40)33(42)36-23-19-24-10-8-11-25(20-23)38(24)3/h6-7,12-15,18,21,23-25H,4-5,8-11,16-17,19-20H2,1-3H3,(H,35,41)(H,36,42)/t23-,24-,25+
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| InChIKey |
JCHBKINXCIYGSB-MPIKPJSNSA-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