General Information of the Compound
| Compound ID |
CP0875019
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| Compound Name |
SID131460391
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H](CO)N3C)cc1
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| InChI |
InChI=1S/C27H35N3O3/c1-29-24-13-10-19(18-8-11-21(33-2)12-9-18)16-23(24)26-22(25(29)17-31)14-15-30(26)27(32)28-20-6-4-3-5-7-20/h8-13,16,20,22,25-26,31H,3-7,14-15,17H2,1-2H3,(H,28,32)/t22-,25+,26-/m0/s1
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| InChIKey |
SWNPATJGLZBUQO-DFCKQENNSA-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