General Information of the Compound
| Compound ID |
CP0507927
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| Compound Name |
2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione]acetic acid
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| Structure |
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| Formula |
C20H13Cl2FN2O5
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| Molecular Weight |
451.237
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| Canonical SMILES |
OC(=O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m0/s1
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| InChIKey |
IXKFWNVFUXXEFY-FQEVSTJZSA-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