General Information of the Compound
| Compound ID |
CP0294871
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| Compound Name |
3-chloro-N-cyclopropyl-4-[4-[(2,8-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
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| Structure |
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| Formula |
C25H29ClN4O3
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| Molecular Weight |
468.985
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| Canonical SMILES |
CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3Cl)C(=O)NC3CC3)cc2NC1=O
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| InChI |
InChI=1S/C25H29ClN4O3/c1-15-11-17(12-21-23(15)33-16(2)24(31)28-21)14-29-7-9-30(10-8-29)22-6-3-18(13-20(22)26)25(32)27-19-4-5-19/h3,6,11-13,16,19H,4-5,7-10,14H2,1-2H3,(H,27,32)(H,28,31)
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| InChIKey |
CDVFVKCCOOQANC-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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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