General Information of the Compound
| Compound ID |
CP0801855
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| Compound Name |
(S)-N-(1-(4-(benzyloxy)phenyl)-2-(4-(guanidinomethyl)-benzylamino)-2-oxoethyl)hexanamide trifluoroacetic acid salt
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| Formula |
C32H38F3N5O5
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| Molecular Weight |
629.68
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCc1ccc(CNC(=N)N)cc1)c1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C30H37N5O3.C2HF3O2/c1-2-3-5-10-27(36)35-28(25-15-17-26(18-16-25)38-21-24-8-6-4-7-9-24)29(37)33-19-22-11-13-23(14-12-22)20-34-30(31)32;3-2(4,5)1(6)7/h4,6-9,11-18,28H,2-3,5,10,19-21H2,1H3,(H,33,37)(H,35,36)(H4,31,32,34);(H,6,7)/t28-;/m0./s1
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| InChIKey |
ZSBYMYRZOKDVDY-JCOPYZAKSA-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