General Information of the Compound
| Compound ID |
CP0568941
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-cyclopropyl-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C30H30ClN5O5S2
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| Molecular Weight |
640.187
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| Canonical SMILES |
C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1)c1ccc(cc1)-c1cc(Cl)ccc1-c1nc(=O)o[nH]1
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| InChI |
InChI=1S/C30H30ClN5O5S2/c1-16(18-4-6-19(7-5-18)24-14-21(31)10-13-23(24)27-33-30(38)41-34-27)36(15-17-2-3-17)29-32-25(26(42-29)20-8-9-20)28(37)35-43(39,40)22-11-12-22/h4-7,10,13-14,16-17,20,22H,2-3,8-9,11-12,15H2,1H3,(H,35,37)(H,33,34,38)/t16-/m1/s1
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| InChIKey |
ICLNOMHYGSVFJE-MRXNPFEDSA-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