General Information of the Compound
| Compound ID |
CP0562556
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| Compound Name |
(R)-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)-6-methoxy-2-naphthamide
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| Structure |
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| Formula |
C26H28F3N5O3
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| Molecular Weight |
515.536
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N5O3/c1-37-21-11-8-17-13-19(7-6-18(17)14-21)23(35)34-22(3-2-12-32-25(30)31)24(36)33-15-16-4-9-20(10-5-16)26(27,28)29/h4-11,13-14,22H,2-3,12,15H2,1H3,(H,33,36)(H,34,35)(H4,30,31,32)/t22-/m1/s1
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| InChIKey |
WMRBATAWKBJPSS-JOCHJYFZSA-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