General Information of the Compound
| Compound ID |
CP0580116
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| Compound Name |
CHEMBL5171680
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| Formula |
C32H34Cl2N4O3
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| Molecular Weight |
593.555
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| Canonical SMILES |
CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(CN[C@H]3CC[C@H](CC3)C(O)=O)C2)C1=O
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| InChI |
InChI=1S/C32H34Cl2N4O3/c1-32(2)29-27(13-22(34)16-36-29)26-12-5-21(33)14-28(26)38(31(32)41)25-10-8-24(9-11-25)37-17-19(18-37)15-35-23-6-3-20(4-7-23)30(39)40/h5,8-14,16,19-20,23,35H,3-4,6-7,15,17-18H2,1-2H3,(H,39,40)/t20-,23+
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| InChIKey |
AFZLTKHKFOYSAP-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