General Information of the Compound
| Compound ID |
CP0055486
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| Compound Name |
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
O=C(N[C@H]1C[C@@H]1c1ccccc1)NC1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
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| InChIKey |
OKBCQVXLHZLMAA-UXHICEINSA-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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