General Information of the Compound
| Compound ID |
CP0035124
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| Compound Name |
4-((3-allyl-3-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)ureido)methyl)-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C35H49N5O5S
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| Molecular Weight |
651.874
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(CNC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@]3(O)c3ccccc3)C(=O)C3CCCC3)CC2)cc1
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| InChI |
InChI=1S/C35H49N5O5S/c1-4-20-40(34(42)36-23-27-14-16-32(17-15-27)46(44,45)37(2)3)31-18-21-38(22-19-31)24-30-25-39(33(41)28-10-8-9-11-28)26-35(30,43)29-12-6-5-7-13-29/h4-7,12-17,28,30-31,43H,1,8-11,18-26H2,2-3H3,(H,36,42)/t30-,35-/m0/s1
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| InChIKey |
IUOKEVGFIRCTJQ-QGRQJHSQSA-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