General Information of the Compound
| Compound ID |
CP0411690
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| Compound Name |
5-methoxy-2-[2-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethoxy]benzamide
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| Structure |
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| Formula |
C31H35N5O4
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| Molecular Weight |
541.652
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| Canonical SMILES |
COc1ccc(OCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O
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| InChI |
InChI=1S/C31H35N5O4/c1-20-13-26(34-19-33-20)22-3-6-24-21(14-22)4-7-27(24)36-17-31(18-36)9-11-35(12-10-31)29(37)16-40-28-8-5-23(39-2)15-25(28)30(32)38/h3,5-6,8,13-15,19,27H,4,7,9-12,16-18H2,1-2H3,(H2,32,38)/t27-/m1/s1
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| InChIKey |
BKLUBJRZSCAMKB-HHHXNRCGSA-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