General Information of the Compound
| Compound ID |
CP0525176
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| Compound Name |
US9163012, 2
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| Formula |
C21H25F2N3O4
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| Molecular Weight |
421.444
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Oc1ncc(F)cc1F)C(C3)C2
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| InChI |
InChI=1S/C21H25F2N3O4/c22-14-5-16(23)18(25-9-14)29-15-1-2-26(10-15)20(28)30-17-12-3-11-4-13(17)8-21(6-11,7-12)19(24)27/h5,9,11-13,15,17H,1-4,6-8,10H2,(H2,24,27)/t11?,12?,13?,15-,17-,21-/m0/s1
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| InChIKey |
PZDSCMKUHJRCQB-XNSWMTPESA-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