General Information of the Compound
| Compound ID |
CP0228614
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| Compound Name |
US8765972, 5
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| Structure |
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| Formula |
C21H29N3O2
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| Molecular Weight |
355.482
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| Canonical SMILES |
C[C@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O
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| InChI |
InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m1/s1
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| InChIKey |
OYGLTKXMFGWXJT-CQSZACIVSA-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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