General Information of the Compound
| Compound ID |
CP0072202
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| Compound Name |
5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone, Nec-1
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| Structure |
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| Formula |
C13H13N3OS
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| Molecular Weight |
259.334
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| Canonical SMILES |
CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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| InChIKey |
TXUWMXQFNYDOEZ-UHFFFAOYSA-N
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| CAS |
4311-88-0
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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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