General Information of the Compound
| Compound ID |
CP0377212
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| Compound Name |
4-((3-allyl-3-((1R,3R,5S)-8-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)-8-azabicyclo[3.2.1]octan-3-yl)ureido)methyl)-N-methylbenzenesulfonamide
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| Formula |
C36H48FN5O5S
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| Molecular Weight |
681.875
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(CNC(=O)N(CC=C)[C@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CN(C[C@]2(O)c2cccc(F)c2)C(=O)C2CCCC2)cc1
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| InChI |
InChI=1S/C36H48FN5O5S/c1-3-17-41(35(44)39-21-25-11-15-33(16-12-25)48(46,47)38-2)32-19-30-13-14-31(20-32)42(30)23-28-22-40(34(43)26-7-4-5-8-26)24-36(28,45)27-9-6-10-29(37)18-27/h3,6,9-12,15-16,18,26,28,30-32,38,45H,1,4-5,7-8,13-14,17,19-24H2,2H3,(H,39,44)/t28-,30-,31+,32-,36+/m1/s1
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| InChIKey |
COYZVTCMRMFIAD-AXYILJFYSA-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