General Information of the Compound
| Compound ID |
CP0475200
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| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-(3-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C35H39N7O2
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| Molecular Weight |
589.744
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| Canonical SMILES |
COc1cccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1
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| InChI |
InChI=1S/C35H39N7O2/c1-35(2,36)34(43)39-31(19-25-21-38-30-16-7-5-14-28(25)30)33-41-40-32(42(33)22-23-10-8-12-26(18-23)44-3)17-9-11-24-20-37-29-15-6-4-13-27(24)29/h4-8,10,12-16,18,20-21,31,37-38H,9,11,17,19,22,36H2,1-3H3,(H,39,43)/t31-/m1/s1
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| InChIKey |
HPRDHALQPIXBSW-WJOKGBTCSA-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