General Information of the Compound
| Compound ID |
CP0938690
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| Compound Name |
SID144199873
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| Structure |
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| Formula |
C39H43N3O3
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| Molecular Weight |
601.791
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C39H43N3O3/c1-27-22-42(28(2)25-43)39(44)38-37(34-16-10-11-17-35(34)41(38)4)33-15-9-8-14-32(33)26-45-36(27)24-40(3)23-29-18-20-31(21-19-29)30-12-6-5-7-13-30/h5-21,27-28,36,43H,22-26H2,1-4H3/t27-,28-,36+/m0/s1
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| InChIKey |
LYMUYLCMDRKWKZ-KAUPTSPVSA-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