General Information of the Compound
| Compound ID |
CP0378516
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| Compound Name |
3-pyrrolidin-1-ylpropyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H38N4O5S
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| Molecular Weight |
578.735
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)OCCCN1CCCC1
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| InChI |
InChI=1S/C31H38N4O5S/c1-23-9-2-3-10-25(23)30(36)32-28-13-14-29(27-12-5-4-11-26(27)28)41(38,39)33-24-15-20-35(21-16-24)31(37)40-22-8-19-34-17-6-7-18-34/h2-5,9-14,24,33H,6-8,15-22H2,1H3,(H,32,36)
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| InChIKey |
BRFSLLFZOHATFX-UHFFFAOYSA-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