General Information of the Compound
| Compound ID |
CP0411603
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| Compound Name |
CHEMBL3237890
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| Formula |
C29H33Cl2N3O4
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| Molecular Weight |
558.506
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(C(=O)N2Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H33Cl2N3O4/c1-28(2,3)21-10-13-29(14-11-21)33-25(20-8-9-22(30)23(31)16-20)27(38)34(29)17-18-4-6-19(7-5-18)26(37)32-15-12-24(35)36/h4-9,16,21H,10-15,17H2,1-3H3,(H,32,37)(H,35,36)/t21-,29-
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| InChIKey |
OAAVVEVOBDEWHG-CNZDGBQKSA-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