General Information of the Compound
| Compound ID |
CP0528154
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| Compound Name |
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]anilino]pentyl]-3-pyridin-3-ylprop-2-enamide
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| Structure |
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| Formula |
C33H41N5O
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| Molecular Weight |
523.725
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| Canonical SMILES |
CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(NCCCCCNC(=O)\C=C\c2cccnc2)cc1
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| InChI |
InChI=1S/C33H41N5O/c1-26(2)38(22-18-29-24-37-32-11-5-4-10-31(29)32)25-28-12-15-30(16-13-28)35-20-6-3-7-21-36-33(39)17-14-27-9-8-19-34-23-27/h4-5,8-17,19,23-24,26,35,37H,3,6-7,18,20-22,25H2,1-2H3,(H,36,39)/b17-14+
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| InChIKey |
GGNQLDGHZXOOSQ-SAPNQHFASA-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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