General Information of the Compound
| Compound ID |
CP0550330
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| Compound Name |
N-[4-[7-chloro-5-[3-(diethylamino)propylamino]-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
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| Formula |
C33H41ClN4O2
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| Molecular Weight |
561.17
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| Canonical SMILES |
CCN(CC)CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C33H41ClN4O2/c1-5-37(6-2)19-10-18-35-30-13-9-20-38(31-17-14-25(34)22-29(30)31)33(40)28-16-15-26(21-24(28)4)36-32(39)27-12-8-7-11-23(27)3/h7-8,11-12,14-17,21-22,30,35H,5-6,9-10,13,18-20H2,1-4H3,(H,36,39)
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| InChIKey |
KOJRFIVNZUQKMG-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