General Information of the Compound
| Compound ID |
CP0578513
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| Compound Name |
CHEMBL5189957
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| Formula |
C33H36Cl2N4O4
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| Molecular Weight |
623.581
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| Canonical SMILES |
COC1(CN[C@H]2CC[C@H](CC2)C(O)=O)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O
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| InChI |
InChI=1S/C33H36Cl2N4O4/c1-32(2)29-27(14-22(35)16-36-29)26-13-6-21(34)15-28(26)39(31(32)42)25-11-9-24(10-12-25)38-18-33(19-38,43-3)17-37-23-7-4-20(5-8-23)30(40)41/h6,9-16,20,23,37H,4-5,7-8,17-19H2,1-3H3,(H,40,41)/t20-,23+
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| InChIKey |
VXBNWIFVISZVNZ-UHGJSFDGSA-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