General Information of the Compound
| Compound ID |
CP0570660
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| Compound Name |
CHEMBL4521249
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| Formula |
C30H25N7O
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| Molecular Weight |
499.578
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| Canonical SMILES |
O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)C1=CCCCC1
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| InChI |
InChI=1S/C30H25N7O/c38-30-26(22-13-14-23-21(18-22)12-7-16-31-23)28(33-24-15-17-32-35-24)34-29-25(19-8-3-1-4-9-19)27(36-37(29)30)20-10-5-2-6-11-20/h2,5-8,10-18,34H,1,3-4,9H2,(H2,32,33,35)
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| InChIKey |
DIDPHUOMGWKLIJ-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