General Information of the Compound
| Compound ID |
CP0570606
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| Compound Name |
N-[2-[(2S)-2-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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| Formula |
C27H27N5O5
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| Molecular Weight |
501.543
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| Canonical SMILES |
O=C(CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12)NCc1ccccc1
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| InChI |
InChI=1S/C27H27N5O5/c33-23(29-15-18-7-2-1-3-8-18)16-30-27(37)25(35)22-11-6-14-32(22)24(34)17-31-26(36)20-12-13-28-21-10-5-4-9-19(20)21/h1-5,7-10,12-13,22H,6,11,14-17H2,(H,29,33)(H,30,37)(H,31,36)/t22-/m0/s1
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| InChIKey |
GQFKFUJZZLVDEV-QFIPXVFZSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound