General Information of the Compound
| Compound ID |
CP0555770
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| Compound Name |
CHEMBL4065343
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| Formula |
C34H41N7O3
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| Molecular Weight |
595.748
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| Canonical SMILES |
CCC[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/C34H41N7O3/c1-6-8-23-11-13-24(14-12-23)32(43)36-27-16-10-22(4)29(18-27)41-20-25-19-35-33(39-31(25)40(5)34(41)44)37-26-15-9-21(3)28(17-26)38-30(42)7-2/h7,9-10,15-19,23-24H,2,6,8,11-14,20H2,1,3-5H3,(H,36,43)(H,38,42)(H,35,37,39)/t23-,24-
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| InChIKey |
ZKMFYRWSKZMJQQ-RQNOJGIXSA-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