General Information of the Compound
| Compound ID |
CP0317486
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| Compound Name |
4-[(Z)-[4-(4-chlorobenzyl)-3-keto-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(4-methylpiperazino)propyl]benzamide
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| Structure |
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| Formula |
C31H33ClN4O3
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| Molecular Weight |
545.083
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| Canonical SMILES |
CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1
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| InChI |
InChI=1S/C31H33ClN4O3/c1-34-17-19-35(20-18-34)16-4-15-33-30(37)25-11-7-23(8-12-25)21-29-31(38)36(22-24-9-13-26(32)14-10-24)27-5-2-3-6-28(27)39-29/h2-3,5-14,21H,4,15-20,22H2,1H3,(H,33,37)/b29-21-
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| InChIKey |
RVWUTVFNUCNTII-ANYBSYGZSA-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