General Information of the Compound
| Compound ID |
CP0252482
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| Compound Name |
(S)-2-(3-aminopropyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide
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| Structure |
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| Formula |
C22H25F2N3O
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| Molecular Weight |
385.458
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| Canonical SMILES |
CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F
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| InChI |
InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3/t22-/m0/s1
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| InChIKey |
RMNSTABIWGFSQE-QFIPXVFZSA-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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