General Information of the Compound
| Compound ID |
CP0391493
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| Compound Name |
(2S)-2-amino-N-(7-fluoro-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-6-[(2-fluorophenyl)sulfonylamino]hexanamide
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| Structure |
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| Formula |
C24H28F2N4O3S
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| Molecular Weight |
490.576
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| Canonical SMILES |
N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1
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| InChI |
InChI=1S/C24H28F2N4O3S/c25-16-9-10-17-15(13-16)8-11-21-18(17)14-23(29-21)30-24(31)20(27)6-3-4-12-28-34(32,33)22-7-2-1-5-19(22)26/h1-2,5,7,9-10,13,18,20-21,28H,3-4,6,8,11-12,14,27H2,(H,29,30,31)/t18?,20-,21?/m0/s1
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| InChIKey |
HIJDOZRHSKXTAA-CKHPTIKVSA-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