General Information of the Compound
| Compound ID |
CP0488520
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| Compound Name |
(3S)-5-methyl-6'-(4-methylbenzoyl)-7'-(3-nitrophenyl)spiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
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| Structure |
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| Formula |
C28H25N3O4S
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| Molecular Weight |
499.592
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)C1C(C2CSCN2[C@@]11C(=O)Nc2ccc(C)cc12)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C28H25N3O4S/c1-16-6-9-18(10-7-16)26(32)25-24(19-4-3-5-20(13-19)31(34)35)23-14-36-15-30(23)28(25)21-12-17(2)8-11-22(21)29-27(28)33/h3-13,23-25H,14-15H2,1-2H3,(H,29,33)/t23?,24?,25?,28-/m1/s1
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| InChIKey |
DCAZCKMMEAPQGQ-YKLXMYAUSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3