General Information of the Compound
| Compound ID |
CP0468491
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| Compound Name |
CHEMBL456877
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| Formula |
C29H38N8O
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| Molecular Weight |
514.678
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| Canonical SMILES |
CCCn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C29H38N8O/c1-5-18-36-25-9-7-6-8-24(25)30-28(36)37(23-16-14-22(15-17-23)29(2,3)4)19-20-10-12-21(13-11-20)26(38)31-27-32-34-35-33-27/h6-13,22-23H,5,14-19H2,1-4H3,(H2,31,32,33,34,35,38)/t22-,23-
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| InChIKey |
ATKCXBVEXXGWNY-YHBQERECSA-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