General Information of the Compound
| Compound ID |
CP0179741
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| Compound Name |
CHEMBL2152387
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| Formula |
C30H29N3O5
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| Molecular Weight |
511.578
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| Canonical SMILES |
COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2cccnc2n1-c1ccccc1
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| InChI |
InChI=1S/C30H29N3O5/c1-38-30(37)26-25(27(35)24-8-5-17-31-28(24)33(26)22-6-3-2-4-7-22)18-19-9-11-20(12-10-19)29(36)32-21-13-15-23(34)16-14-21/h2-12,17,21,23,34H,13-16,18H2,1H3,(H,32,36)/t21-,23-
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| InChIKey |
VJJLDGVIEMEYDL-AFARHQOCSA-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