General Information of the Compound
| Compound ID |
CP0404777
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| Compound Name |
2-(10-oxo-3,9-diazatricyclo[6.5.1.04,14]tetradeca-4,6,8(14)-trien-3-yl)-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
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| Structure |
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| Formula |
C29H27N5O3
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| Molecular Weight |
493.567
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| Canonical SMILES |
O=C(CN1CC2CCCC(=O)Nc3cccc1c23)Nc1ccc2C[C@@]3(Cc2c1)C(=O)Nc1ncccc31
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| InChI |
InChI=1S/C29H27N5O3/c35-24-8-1-4-18-15-34(23-7-2-6-22(32-24)26(18)23)16-25(36)31-20-10-9-17-13-29(14-19(17)12-20)21-5-3-11-30-27(21)33-28(29)37/h2-3,5-7,9-12,18H,1,4,8,13-16H2,(H,31,36)(H,32,35)(H,30,33,37)/t18?,29-/m0/s1
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| InChIKey |
JFBJCDPDVINJFX-MPRLKSRNSA-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