General Information of the Compound
| Compound ID |
CP0966864
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| Compound Name |
US9163012, 69
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| Formula |
C22H26ClN5O4
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| Molecular Weight |
459.934
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| Canonical SMILES |
NC(=O)[C@]12CC3CC(C1)[C@@H](OC(=O)N1CC[C@@H](n4c(=O)[nH]c5cc(Cl)cnc54)C1)C(C3)C2
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| InChI |
InChI=1S/C22H26ClN5O4/c23-14-5-16-18(25-9-14)28(20(30)26-16)15-1-2-27(10-15)21(31)32-17-12-3-11-4-13(17)8-22(6-11,7-12)19(24)29/h5,9,11-13,15,17H,1-4,6-8,10H2,(H2,24,29)(H,26,30)/t11?,12?,13?,15-,17-,22-/m1/s1
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| InChIKey |
HDZJSJXYUHJJDV-SCCYEVMFSA-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