General Information of the Compound
| Compound ID |
CP0966291
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| Compound Name |
N1-(6-fluoropyridin-3-yl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspiro[5.5]undecan-4-yl)oxalamide tris(2,2,2-trifluoroacetate)
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| Structure |
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| Formula |
C31H42F10N8O9
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| Molecular Weight |
860.704
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| Canonical SMILES |
N=C(N)NCCCCC(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(F)nc2)CC12CCCCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H39FN8O3.3C2HF3O2/c26-20-8-7-19(17-31-20)33-23(37)22(36)32-18-9-14-34(25(16-18)10-3-1-4-11-25)15-13-29-21(35)6-2-5-12-30-24(27)28;3*3-2(4,5)1(6)7/h7-8,17-18H,1-6,9-16H2,(H,29,35)(H,32,36)(H,33,37)(H4,27,28,30);3*(H,6,7)
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| InChIKey |
JQLYVAKBEITRBM-UHFFFAOYSA-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