General Information of the Compound
| Compound ID |
CP0573875
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| Compound Name |
CHEMBL4102474
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| Formula |
C32H37N7O3
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| Molecular Weight |
567.694
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| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc2N(C)C1=O
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| InChI |
InChI=1S/C32H37N7O3/c1-6-28(40)36-26-15-24(13-9-20(26)3)35-31-33-17-23-18-39(32(42)38(5)29(23)37-31)27-16-25(14-10-21(27)4)34-30(41)22-11-7-19(2)8-12-22/h6,9-10,13-17,19,22H,1,7-8,11-12,18H2,2-5H3,(H,34,41)(H,36,40)(H,33,35,37)/t19-,22-
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| InChIKey |
CLXOAOALEFDRNO-XYWHTSSQSA-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