General Information of the Compound
| Compound ID |
CP0970216
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| Compound Name |
N1-(4-chlorophenyl)-N2-(1-(2-(5-guanidinopentanamido)ethyl)-1-azaspiro[5.5]undecan-4-yl)oxalamide bis(2,2,2-trifluoroacetate)
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| Formula |
C30H42ClF6N7O7
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| Molecular Weight |
762.149
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| Canonical SMILES |
N=C(N)NCCCCC(=O)NCCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC12CCCCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H40ClN7O3.2C2HF3O2/c27-19-7-9-20(10-8-19)32-23(36)24(37)33-21-11-16-34(26(18-21)12-3-1-4-13-26)17-15-30-22(35)6-2-5-14-31-25(28)29;2*3-2(4,5)1(6)7/h7-10,21H,1-6,11-18H2,(H,30,35)(H,32,36)(H,33,37)(H4,28,29,31);2*(H,6,7)
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| InChIKey |
WAEJZXHOBNXVEB-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