General Information of the Compound
| Compound ID |
CP0158332
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| Compound Name |
CHEMBL3780467
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| Formula |
C20H27N5O3
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| Molecular Weight |
385.468
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| Canonical SMILES |
COC(=O)C1CCc2[nH]c(nc2C1)-c1c(N[C@@H]2CC[C@H](N)CC2)cc[nH]c1=O
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| InChI |
InChI=1S/C20H27N5O3/c1-28-20(27)11-2-7-14-16(10-11)25-18(24-14)17-15(8-9-22-19(17)26)23-13-5-3-12(21)4-6-13/h8-9,11-13H,2-7,10,21H2,1H3,(H,24,25)(H2,22,23,26)/t11?,12-,13+
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| InChIKey |
RVCXRGXRWJRHPL-YHWZYXNKSA-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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