General Information of the Compound
| Compound ID |
CP0699891
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| Compound Name |
(S)-N-(1-(methylamino)-1-oxo-3-(3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanamido)propan-2-yl)-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxamide
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| Formula |
C26H27N5O5
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| Molecular Weight |
489.532
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| Canonical SMILES |
CNC(=O)[C@H](CNC(=O)CCc1nc2ccccc2[nH]c1=O)NC(=O)c1ccc2c(c1)CCCC2=O
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| InChI |
InChI=1S/C26H27N5O5/c1-27-25(35)21(31-24(34)16-9-10-17-15(13-16)5-4-8-22(17)32)14-28-23(33)12-11-20-26(36)30-19-7-3-2-6-18(19)29-20/h2-3,6-7,9-10,13,21H,4-5,8,11-12,14H2,1H3,(H,27,35)(H,28,33)(H,30,36)(H,31,34)/t21-/m0/s1
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| InChIKey |
ACFALQVDPBXIJB-NRFANRHFSA-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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