General Information of the Compound
| Compound ID |
CP0212099
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| Compound Name |
CHEMBL3613351
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| Formula |
C34H36N2O5
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| Molecular Weight |
552.671
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| Canonical SMILES |
Cc1ccccc1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1
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| InChI |
InChI=1S/C34H36N2O5/c1-21-4-2-3-5-29(21)23-6-8-24(9-7-23)31(37)35-14-15-36-32(38)25-10-12-28(13-11-25)41-30-26-16-22-17-27(30)20-34(18-22,19-26)33(39)40/h2-13,22,26-27,30H,14-20H2,1H3,(H,35,37)(H,36,38)(H,39,40)/t22?,26?,27?,30-,34-
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| InChIKey |
JNHUICIANQTFML-DVMICJFOSA-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