General Information of the Compound
| Compound ID |
CP0548362
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| Compound Name |
Revospirone
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| Structure |
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| Formula |
C18H21N5O3S
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| Molecular Weight |
387.465
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| Canonical SMILES |
O=C1N(CCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C18H21N5O3S/c24-17-15-5-1-2-6-16(15)27(25,26)23(17)10-4-9-21-11-13-22(14-12-21)18-19-7-3-8-20-18/h1-3,5-8H,4,9-14H2
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| InChIKey |
MPLTZRTXQLNGED-UHFFFAOYSA-N
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| CAS |
95847-87-3
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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