General Information of the Compound
| Compound ID |
CP0554815
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| Compound Name |
US8822510, 52
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
Cc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(\C=C\C2(CCCCC2)c2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C27H31ClN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-10,13-15,23,31-32H,3-5,11-12,16-17H2,1-2H3/b13-10+/t23-/m0/s1
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| InChIKey |
AOBIJMKGHOOWGX-YYVWFHOOSA-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