General Information of the Compound
| Compound ID |
CP0223818
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| Compound Name |
CHEMBL3037918
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| Formula |
C33H37N7O
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| Molecular Weight |
547.707
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| Canonical SMILES |
CC(C)Oc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1
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| InChI |
InChI=1S/C33H37N7O/c1-21(2)41-29-20-27(22-7-5-4-6-8-22)36-28-19-23(9-10-26(28)29)30-31-32(34)35-11-12-40(31)33(37-30)24-17-25(18-24)39-15-13-38(3)14-16-39/h4-12,19-21,24-25H,13-18H2,1-3H3,(H2,34,35)/t24-,25+
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| InChIKey |
FGZQONJGCDQJHT-PLQXJYEYSA-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