General Information of the Compound
| Compound ID |
CP0435607
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| Compound Name |
CHEMBL4217517
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| Formula |
C33H43N9
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| Molecular Weight |
565.77
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C33H43N9/c34-25-10-12-27(13-11-25)37-33-38-31(30-32(39-33)42(23-35-30)29-8-4-5-9-29)36-26-14-16-28(17-15-26)41-20-18-40(19-21-41)22-24-6-2-1-3-7-24/h1-3,6-7,14-17,23,25,27,29H,4-5,8-13,18-22,34H2,(H2,36,37,38,39)/t25-,27-
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| InChIKey |
HNRWDZSSLWFYRN-DUYHBEBVSA-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
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay