General Information of the Compound
| Compound ID |
CP0337215
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| Compound Name |
(S)-isopropyl (2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl)-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl)propylamino)(4-(pyridin-4-yl)piperidin-1-yl)methylenecarbamate
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| Structure |
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| Formula |
C42H54N6O3S
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| Molecular Weight |
723
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| Canonical SMILES |
CC(C)OC(=O)N=C(NC[C@@H](C)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1)N1CCC(CC1)c1ccncc1
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| InChI |
InChI=1S/C42H54N6O3S/c1-25(2)51-41(50)46-40(47-18-14-30(15-19-47)29-12-16-43-17-13-29)44-24-28(5)36-34-23-35(42(6,7)39(49)48-32-8-9-33(48)11-10-32)52-38(34)45-37(36)31-21-26(3)20-27(4)22-31/h12-13,16-17,20-23,25,28,30,32-33,45H,8-11,14-15,18-19,24H2,1-7H3,(H,44,46,50)/t28-,32?,33?/m1/s1
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| InChIKey |
VBIORZIJXWZUBQ-ZDVODEEHSA-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