General Information of the Compound
| Compound ID |
CP0966286
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| Compound Name |
2-(hydroxy(phenyl)methyl)-4-methoxy-5-(6-(4-(4-methylpiperazin-1-yl)phenyl)-9H-pyrido[2,3-b]indol-4-yl)phenol
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| Structure |
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| Formula |
C36H34N4O3
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| Molecular Weight |
570.693
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| Canonical SMILES |
COc1cc(C(O)c2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(-c4ccc(N5CCN(C)CC5)cc4)cc3c12
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| InChI |
InChI=1S/C36H34N4O3/c1-39-16-18-40(19-17-39)26-11-8-23(9-12-26)25-10-13-31-29(20-25)34-27(14-15-37-36(34)38-31)28-21-32(41)30(22-33(28)43-2)35(42)24-6-4-3-5-7-24/h3-15,20-22,35,41-42H,16-19H2,1-2H3,(H,37,38)
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| InChIKey |
IJQXGKDCNCDQME-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