General Information of the Compound
| Compound ID |
CP0545357
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| Compound Name |
5-cyclopropyl-2-[cyclopropylmethyl-[(1R)-1-[4-[5-methyl-2-(5-oxo-4H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]ethyl]amino]-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C31H33N5O4S3
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| Molecular Weight |
635.837
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| Canonical SMILES |
C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1)c1ccc(cc1)-c1cc(C)ccc1-c1nc(=O)s[nH]1
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| InChI |
InChI=1S/C31H33N5O4S3/c1-17-3-14-24(28-33-31(38)42-34-28)25(15-17)21-8-6-20(7-9-21)18(2)36(16-19-4-5-19)30-32-26(27(41-30)22-10-11-22)29(37)35-43(39,40)23-12-13-23/h3,6-9,14-15,18-19,22-23H,4-5,10-13,16H2,1-2H3,(H,35,37)(H,33,34,38)/t18-/m1/s1
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| InChIKey |
LHTOPMDSLVEIPQ-GOSISDBHSA-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