General Information of the Compound
| Compound ID |
CP0086492
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| Compound Name |
3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[[3-(2,4-dimethoxyphenyl)phenyl]sulfonylamino]-3-oxopropyl]benzenecarboximidamide
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| Structure |
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| Formula |
C31H39N5O5S
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| Molecular Weight |
593.75
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| Canonical SMILES |
COc1ccc(c(OC)c1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1
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| InChI |
InChI=1S/C31H39N5O5S/c1-40-25-9-10-27(29(20-25)41-2)23-6-4-8-26(19-23)42(38,39)35-28(18-22-5-3-7-24(17-22)30(33)34)31(37)36-15-12-21(11-14-32)13-16-36/h3-10,17,19-21,28,35H,11-16,18,32H2,1-2H3,(H3,33,34)/t28-/m0/s1
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| InChIKey |
YLFDUDAILBTVGN-NDEPHWFRSA-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