General Information of the Compound
| Compound ID |
CP0242715
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| Compound Name |
6-[N-ethyl-5-(2-methylpropoxy)-2-[(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonyl)amino]-4-propan-2-ylanilino]pyridine-3-carboxylic acid
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| Formula |
C37H42N4O6
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| Molecular Weight |
638.765
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| Canonical SMILES |
CCN(c1ccc(cn1)C(O)=O)c1cc(OCC(C)C)c(cc1NC(=O)c1cc2cc3CCCN4CCCc(c34)c2oc1=O)C(C)C
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| InChI |
InChI=1S/C37H42N4O6/c1-6-41(32-12-11-24(19-38-32)36(43)44)30-18-31(46-20-21(2)3)27(22(4)5)17-29(30)39-35(42)28-16-25-15-23-9-7-13-40-14-8-10-26(33(23)40)34(25)47-37(28)45/h11-12,15-19,21-22H,6-10,13-14,20H2,1-5H3,(H,39,42)(H,43,44)
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| InChIKey |
ULMIFUYGJNTQBU-UHFFFAOYSA-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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