General Information of the Compound
| Compound ID |
CP0534718
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| Compound Name |
4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-4-hydroxypyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate
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| Structure |
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| Formula |
C33H41FN4O6
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| Molecular Weight |
608.711
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| Canonical SMILES |
O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H41FN4O6/c1-2-17-37(32(40)44-22-24-7-13-30(14-8-24)38(42)43)29-15-18-35(19-16-29)20-27-21-36(31(39)25-5-3-4-6-25)23-33(27,41)26-9-11-28(34)12-10-26/h2,7-14,25,27,29,41H,1,3-6,15-23H2/t27-,33-/m0/s1
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| InChIKey |
YHAXTDKIZOEFNO-CMVGPNDKSA-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