General Information of the Compound
| Compound ID |
CP0536388
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| Compound Name |
10-[(dimethylamino)methyl]-16-(hydroxymethyl)-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
CN(C)Cc1ccc2n3CC(CO)Cn4c5ccccc5c5c6C(=O)NCc6c(c2c1)c3c45
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| InChI |
InChI=1S/C27H26N4O2/c1-29(2)11-15-7-8-21-18(9-15)22-19-10-28-27(33)24(19)23-17-5-3-4-6-20(17)30-12-16(14-32)13-31(21)25(22)26(23)30/h3-9,16,32H,10-14H2,1-2H3,(H,28,33)
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| InChIKey |
LNKBUEXIEXKLAG-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