General Information of the Compound
| Compound ID |
CP0206877
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| Compound Name |
3-[(2S)-3-oxo-3-(4-phenylpiperazin-1-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propyl]benzenecarboximidamide
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| Structure |
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| Formula |
C35H47N5O3S
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| Molecular Weight |
617.86
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| Canonical SMILES |
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/m0/s1
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| InChIKey |
TULVKTALXJSDBV-YTTGMZPUSA-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