General Information of the Compound
| Compound ID |
CP0227811
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| Compound Name |
3-chloro-4-[16-methyl-(12R)-2,10-diazatetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-10-ylcarbonyl]-1-(2-phenylphenylcarboxamido)benzene
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| Structure |
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| Formula |
C34H30ClN3O2
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| Molecular Weight |
548.086
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| Canonical SMILES |
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2C3CCC(C3)N2Cc2ccccc12
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| InChI |
InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m0/s1
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| InChIKey |
XCEVNDYZCVEEJT-LGISWJOYSA-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