General Information of the Compound
| Compound ID |
CP0952081
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| Compound Name |
SID87542183
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| Structure |
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| Formula |
C38H43N3O4
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| Molecular Weight |
605.779
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O
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| InChI |
InChI=1S/C38H43N3O4/c1-27-23-41(28(2)26-42)38(44)22-33-21-34(39-37(43)20-29-10-6-4-7-11-29)18-19-35(33)45-36(27)25-40(3)24-30-14-16-32(17-15-30)31-12-8-5-9-13-31/h4-19,21,27-28,36,42H,20,22-26H2,1-3H3,(H,39,43)/t27-,28+,36+/m0/s1
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| InChIKey |
UBMFRUBMXOVEAJ-UGIZIUIESA-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