General Information of the Compound
| Compound ID |
CP0922781
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| Compound Name |
US8614213, 19.103
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| Formula |
C23H23ClF3N5O
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| Molecular Weight |
477.918
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CNc2[nH]ncc2-c2cccnc2)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C23H23ClF3N5O/c24-20-8-5-16(23(25,26)27)10-18(20)22(33)31-17-6-3-14(4-7-17)11-29-21-19(13-30-32-21)15-2-1-9-28-12-15/h1-2,5,8-10,12-14,17H,3-4,6-7,11H2,(H,31,33)(H2,29,30,32)/t14-,17-
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| InChIKey |
NYNKIADZYKNXRB-CZIWCDLHSA-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