General Information of the Compound
| Compound ID |
CP0114078
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| Compound Name |
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C34H41N5O4S
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| Molecular Weight |
615.8
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| Canonical SMILES |
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)OC(=O)Nc1ccccc21
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| InChI |
InChI=1S/C34H41N5O4S/c40-31(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-30-11-5-2-8-26(24)30)35-32(41)39-20-14-34(15-21-39)27-9-3-4-10-28(27)36-33(42)43-34/h2-5,8-11,23,25,29H,1,6-7,12-22H2,(H,35,41)(H,36,42)/t29-/m1/s1
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| InChIKey |
WGJMVERMPFJOTM-GDLZYMKVSA-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