General Information of the Compound
| Compound ID |
CP0409342
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| Compound Name |
1-heptyl-1-[5-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)sulfanyl]pentyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C31H44N4O2S
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| Molecular Weight |
536.786
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| Canonical SMILES |
CCCCCCCN(CCCCCSC1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)NC(C)C
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| InChI |
InChI=1S/C31H44N4O2S/c1-4-5-6-7-14-21-35(31(37)32-24(2)3)22-15-9-16-23-38-30-29(36)33-27-20-13-12-19-26(27)28(34-30)25-17-10-8-11-18-25/h8,10-13,17-20,24,30H,4-7,9,14-16,21-23H2,1-3H3,(H,32,37)(H,33,36)
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| InChIKey |
VXGGRKNGRAUXQF-UHFFFAOYSA-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