General Information of the Compound
| Compound ID |
CP0543735
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| Compound Name |
3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl 4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C36H40N4O5S
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| Molecular Weight |
640.806
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)NC1CCN(CC1)C(=O)OCCCN1CCc2ccccc2C1
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| InChI |
InChI=1S/C36H40N4O5S/c1-26-9-2-5-12-30(26)35(41)37-33-15-16-34(32-14-7-6-13-31(32)33)46(43,44)38-29-18-22-40(23-19-29)36(42)45-24-8-20-39-21-17-27-10-3-4-11-28(27)25-39/h2-7,9-16,29,38H,8,17-25H2,1H3,(H,37,41)
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| InChIKey |
NBPJPRSOJNEFIA-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