General Information of the Compound
| Compound ID |
CP0287931
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| Compound Name |
propan-2-yl N-[N-[(2S)-2-[2-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]propyl]-C-(3-pyridin-4-ylpyrrolidin-1-yl)carbonimidoyl]carbamate
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| Structure |
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| Formula |
C37H48N6O3S
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| Molecular Weight |
656.897
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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)N(C)C)-c1cc(C)cc(C)c1)N1CCC(C1)c1ccncc1
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| InChI |
InChI=1S/C37H48N6O3S/c1-22(2)46-36(45)41-35(43-15-12-27(21-43)26-10-13-38-14-11-26)39-20-25(5)31-29-19-30(37(6,7)34(44)42(8)9)47-33(29)40-32(31)28-17-23(3)16-24(4)18-28/h10-11,13-14,16-19,22,25,27,40H,12,15,20-21H2,1-9H3,(H,39,41,45)/t25-,27?/m1/s1
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| InChIKey |
QBFCIBUPOVSOBH-CSMDKSQMSA-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