General Information of the Compound
| Compound ID |
CP0515224
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| Compound Name |
US9469631, 48
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| Structure |
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| Formula |
C21H25F2N5O3
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| Molecular Weight |
433.459
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| Canonical SMILES |
CC(C)OC(=O)N1CC[C@@H]([C@H](F)C1)N(C1CC1)C(=O)c1ccc(c(F)c1)-n1cncn1
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| InChI |
InChI=1S/C21H25F2N5O3/c1-13(2)31-21(30)26-8-7-19(17(23)10-26)28(15-4-5-15)20(29)14-3-6-18(16(22)9-14)27-12-24-11-25-27/h3,6,9,11-13,15,17,19H,4-5,7-8,10H2,1-2H3/t17-,19+/m1/s1
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| InChIKey |
TWYSIUSXCSWBRV-MJGOQNOKSA-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