General Information of the Compound
| Compound ID |
CP0086494
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| Compound Name |
1-[1-[(2S)-3-(3-carbamimidoylphenyl)-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]-3-cyclohexylurea
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| Structure |
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| Formula |
C34H40Cl2N6O4S
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| Molecular Weight |
699.705
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| Canonical SMILES |
NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2Cl)C(=O)N2CCC(CC2)NC(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C34H40Cl2N6O4S/c35-25-12-13-29(30(36)21-25)23-7-5-11-28(20-23)47(45,46)41-31(19-22-6-4-8-24(18-22)32(37)38)33(43)42-16-14-27(15-17-42)40-34(44)39-26-9-2-1-3-10-26/h4-8,11-13,18,20-21,26-27,31,41H,1-3,9-10,14-17,19H2,(H3,37,38)(H2,39,40,44)/t31-/m0/s1
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| InChIKey |
VXMYQVUXZGHVKU-HKBQPEDESA-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