General Information of the Compound
| Compound ID |
CP0176637
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| Compound Name |
1-[(3S)-5-cyclohexyl-2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-benzodiazepin-3-yl]-3-(4-fluorophenyl)urea
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| Synonyms |
CHEMBL320141
GR-199114X
SCHEMBL14520869
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| Structure |
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| Formula |
C28H32FN5O4
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| Molecular Weight |
521.593
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H]2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCC3)C2=O)cc1
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| InChI |
InChI=1S/C28H32FN5O4/c29-19-12-14-20(15-13-19)30-28(38)31-25-26(36)33(18-24(35)32-16-6-7-17-32)22-10-4-5-11-23(22)34(27(25)37)21-8-2-1-3-9-21/h4-5,10-15,21,25H,1-3,6-9,16-18H2,(H2,30,31,38)/t25-/m0/s1
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| InChIKey |
URMOKEJAUAGZGV-VWLOTQADSA-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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Clinical Information about the Compound