General Information of the Compound
| Compound ID |
CP0575921
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| Compound Name |
methyl 2-benzyl-5-[6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indol-4-yl]benzoate
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| Structure |
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| Formula |
C37H34N4O2
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| Molecular Weight |
566.705
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| Canonical SMILES |
COC(=O)c1cc(ccc1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C37H34N4O2/c1-40-18-20-41(21-19-40)30-13-10-26(11-14-30)27-12-15-34-33(23-27)35-31(16-17-38-36(35)39-34)29-9-8-28(32(24-29)37(42)43-2)22-25-6-4-3-5-7-25/h3-17,23-24H,18-22H2,1-2H3,(H,38,39)
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| InChIKey |
ZSFCCUIJPXQKOA-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