General Information of the Compound
| Compound ID |
CP0202645
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| Compound Name |
19-methyl-3-(2-methylpropyl)-7-[(1E)-1-[(propan-2-yloxy)imino]ethyl]-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
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| Structure |
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| Formula |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OC(C)C
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| InChI |
InChI=1S/C29H33N5O2/c1-15(2)13-34-24-10-7-18(17(5)32-36-16(3)4)11-20(24)26-21-12-30-29(35)27(21)25-19(28(26)34)8-9-23-22(25)14-33(6)31-23/h7,10-11,14-16H,8-9,12-13H2,1-6H3,(H,30,35)/b32-17+
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| InChIKey |
BZALTIILUKKHEU-VTNSRFBWSA-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