General Information of the Compound
| Compound ID |
CP0519152
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| Compound Name |
US8614213, 6
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| Formula |
C21H23ClF3N5O2
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| Molecular Weight |
469.895
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ccc(n2)N2CCNC2=O)CC1
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| InChI |
InChI=1S/C21H23ClF3N5O2/c22-17-6-3-14(21(23,24)25)11-16(17)19(31)27-15-4-1-13(2-5-15)12-29-9-7-18(28-29)30-10-8-26-20(30)32/h3,6-7,9,11,13,15H,1-2,4-5,8,10,12H2,(H,26,32)(H,27,31)/t13-,15-
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| InChIKey |
YPJPOBMCXNYBOD-CTYIDZIISA-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