General Information of the Compound
| Compound ID |
CP0546369
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| Compound Name |
7-methyl-3-[4-[[7-methyl-9,10-dioxo-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indol-3-yl]oxy]butoxy]-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C52H48N2O6
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| Molecular Weight |
796.964
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| Canonical SMILES |
CC1Cc2c(c3C(=O)c4ccc(OCCCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C52H48N2O6/c1-31-25-41-45(43(55)27-31)47-49(53(41)21-19-33-11-5-3-6-12-33)39-29-35(15-17-37(39)51(47)57)59-23-9-10-24-60-36-16-18-38-40(30-36)50-48(52(38)58)46-42(26-32(2)28-44(46)56)54(50)22-20-34-13-7-4-8-14-34/h3-8,11-18,29-32H,9-10,19-28H2,1-2H3
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| InChIKey |
CJEZGMNZMVCTGO-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